 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer06_STD_LCPBE_augccpVDZ.in
 Output=21_phenylethanol_conformer06_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-5781.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5809.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=21_phenylethanol_conformer06_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=266000000,108=266000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "21_phenylethanol_conformer06_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.162345000000     -1.239247000000      0.453644000000
  C                                                 1.655725000000     -0.158939000000     -0.341230000000
  H                                                 1.881072000000     -1.094176000000      1.365099000000
  H                                                 1.854813000000     -0.482019000000     -1.367262000000
  C                                                 2.446699000000      1.114652000000     -0.080136000000
  C                                                 0.150796000000     -0.029950000000     -0.174166000000
  H                                                 2.272946000000      1.486730000000      0.932505000000
  H                                                 2.181966000000      1.904257000000     -0.785239000000
  H                                                 3.509095000000      0.900115000000     -0.189137000000
  C                                                -0.489673000000      1.190819000000      0.026062000000
  C                                                -1.872964000000      1.254695000000      0.167928000000
  C                                                -2.635845000000      0.097346000000      0.110092000000
  C                                                -2.007097000000     -1.127866000000     -0.090783000000
  C                                                -0.628986000000     -1.188612000000     -0.232307000000
  H                                                 0.084690000000      2.105244000000      0.074595000000
  H                                                -2.351327000000      2.213069000000      0.325179000000
  H                                                -3.711408000000      0.146804000000      0.220623000000
  H                                                -2.593574000000     -2.036616000000     -0.139348000000
  H                                                -0.138964000000     -2.142300000000     -0.378921000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114652   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900115   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097346    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213069    0.325179
     17          1           0       -3.711408    0.146804    0.220623
     18          1           0       -2.593574   -2.036616   -0.139348
     19          1           0       -0.138964   -2.142300   -0.378921
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.433720   0.000000
     3  H    0.964837   1.958828   0.000000
     4  H    1.995913   1.093965   2.800218   0.000000
     5  C    2.430354   1.521790   2.699548   2.134568   0.000000
     6  C    2.429583   1.519658   2.548680   2.128736   2.567124
     7  H    2.769926   2.170620   2.646087   3.056098   1.092737
     8  H    3.378881   2.175052   3.702039   2.477921   1.091206
     9  H    2.608404   2.140025   3.007209   2.456608   1.089308
    10  C    3.622326   2.561149   3.554526   3.199430   2.939279
    11  C    4.752378   3.835264   4.587287   4.389682   4.329046
    12  C    4.992708   4.322840   4.837076   4.762798   5.186844
    13  C    4.206311   3.797079   4.151938   4.118357   4.986512
    14  C    2.874825   2.508385   2.976746   2.820754   3.845519
    15  H    3.955496   2.787039   3.889560   3.450539   2.565989
    16  H    5.684032   4.703933   5.471061   5.274417   4.938811
    17  H    6.039570   5.405116   5.841720   5.822337   6.240951
    18  H    4.858621   4.650050   4.813939   4.869568   5.944607
    19  H    2.608581   2.675079   2.867179   2.776418   4.169252
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.833471   0.000000
     8  H    2.870578   1.770099   0.000000
     9  H    3.484741   1.769255   1.767742   0.000000
    10  C    1.393043   2.922544   2.881815   4.015092   0.000000
    11  C    2.421352   4.222202   4.215794   5.405532   1.392013
    12  C    2.803993   5.167493   5.222820   6.204375   2.410145
    13  C    2.422576   5.118789   5.217690   5.877989   2.773541
    14  C    1.397833   4.115270   4.215806   4.635554   2.397468
    15  H    2.150652   2.430439   2.275583   3.639841   1.080935
    16  H    3.397219   4.720203   4.677514   6.027679   2.144813
    17  H    3.886350   6.173708   6.231553   7.271248   3.392256
    18  H    3.399925   6.102938   6.225226   6.772698   3.856176
    19  H    2.141940   4.550495   4.682567   4.754013   3.375898
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387368   0.000000
    13  C    2.400317   1.391697   0.000000
    14  C    2.770815   2.407988   1.386690   0.000000
    15  H    2.136482   3.381453   3.854338   3.384230   0.000000
    16  H    1.082608   2.145576   3.384282   3.853399   2.451244
    17  H    2.147109   1.082358   2.150915   3.389662   4.274011
    18  H    3.383257   2.148907   1.082654   2.141812   4.936990
    19  H    3.852970   3.389626   2.145232   1.082191   4.277538
                   16         17         18         19
    16  H    0.000000
    17  H    2.475925   0.000000
    18  H    4.281856   2.479204   0.000000
    19  H    4.935539   4.285068   2.468537   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.54D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.162345   -1.239247    0.453644
      2          6           0        1.655725   -0.158939   -0.341230
      3          1           0        1.881072   -1.094176    1.365099
      4          1           0        1.854813   -0.482019   -1.367262
      5          6           0        2.446699    1.114653   -0.080136
      6          6           0        0.150796   -0.029950   -0.174166
      7          1           0        2.272946    1.486730    0.932505
      8          1           0        2.181966    1.904257   -0.785239
      9          1           0        3.509095    0.900116   -0.189137
     10          6           0       -0.489673    1.190819    0.026062
     11          6           0       -1.872964    1.254695    0.167928
     12          6           0       -2.635845    0.097345    0.110092
     13          6           0       -2.007097   -1.127866   -0.090783
     14          6           0       -0.628986   -1.188612   -0.232307
     15          1           0        0.084690    2.105244    0.074595
     16          1           0       -2.351327    2.213068    0.325179
     17          1           0       -3.711408    0.146803    0.220623
     18          1           0       -2.593574   -2.036617   -0.139348
     19          1           0       -0.138963   -2.142300   -0.378921
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4591964           1.1778731           0.9168715
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2302688959 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.71D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer06_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -384.925363370715    
 DIIS: error= 3.91D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -384.925363370715     IErMin= 1 ErrMin= 3.91D-03
 ErrMax= 3.91D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.45D-03 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.61D-01 WtEn= 3.91D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.26D-02 MaxDP=3.15D+00              OVMax= 1.80D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.10D-02    CP:  1.59D+00
 E= -384.933859579333     Delta-E=       -0.008496208618 Rises=F Damp=F
 DIIS: error= 9.70D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -384.933859579333     IErMin= 2 ErrMin= 9.70D-04
 ErrMax= 9.70D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.73D-04 BMatP= 9.45D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.70D-03
 Coeff-Com:  0.818D-01 0.918D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.810D-01 0.919D+00
 Gap=     0.364 Goal=   None    Shift=    0.000
 RMSDP=8.54D-03 MaxDP=5.40D-01 DE=-8.50D-03 OVMax= 8.41D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.47D-03    CP:  1.68D+00  1.16D+00
 E= -384.933984234501     Delta-E=       -0.000124655168 Rises=F Damp=F
 DIIS: error= 9.35D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -384.933984234501     IErMin= 3 ErrMin= 9.35D-04
 ErrMax= 9.35D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.75D-04 BMatP= 8.73D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.35D-03
 Coeff-Com: -0.333D-01 0.511D+00 0.522D+00
 Coeff-En:   0.000D+00 0.449D+00 0.551D+00
 Coeff:     -0.330D-01 0.510D+00 0.523D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.81D-03 MaxDP=1.02D-01 DE=-1.25D-04 OVMax= 5.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.04D-04    CP:  1.70D+00  1.19D+00  1.12D+00
 E= -384.934611901862     Delta-E=       -0.000627667361 Rises=F Damp=F
 DIIS: error= 7.55D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -384.934611901862     IErMin= 4 ErrMin= 7.55D-05
 ErrMax= 7.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.92D-06 BMatP= 8.73D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.747D-02 0.329D-01 0.918D-01 0.883D+00
 Coeff:     -0.747D-02 0.329D-01 0.918D-01 0.883D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.10D-04 MaxDP=3.08D-02 DE=-6.28D-04 OVMax= 8.04D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.93D-05    CP:  1.71D+00  1.20D+00  1.18D+00  1.17D+00
 E= -384.934619858175     Delta-E=       -0.000007956313 Rises=F Damp=F
 DIIS: error= 4.93D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -384.934619858175     IErMin= 5 ErrMin= 4.93D-05
 ErrMax= 4.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-06 BMatP= 7.92D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.659D-03-0.447D-01-0.205D-01 0.330D+00 0.734D+00
 Coeff:      0.659D-03-0.447D-01-0.205D-01 0.330D+00 0.734D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.11D-05 MaxDP=4.80D-03 DE=-7.96D-06 OVMax= 3.83D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.15D-05    CP:  1.71D+00  1.20D+00  1.20D+00  1.18D+00  1.08D+00
 E= -384.934621539844     Delta-E=       -0.000001681669 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -384.934621539844     IErMin= 6 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.97D-08 BMatP= 1.44D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.656D-03-0.161D-01-0.115D-01 0.536D-01 0.240D+00 0.733D+00
 Coeff:      0.656D-03-0.161D-01-0.115D-01 0.536D-01 0.240D+00 0.733D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.81D-05 MaxDP=7.50D-04 DE=-1.68D-06 OVMax= 1.40D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.06D-05    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.17D+00
                    CP:  1.08D+00
 E= -384.934621649184     Delta-E=       -0.000000109340 Rises=F Damp=F
 DIIS: error= 4.95D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -384.934621649184     IErMin= 7 ErrMin= 4.95D-06
 ErrMax= 4.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-08 BMatP= 8.97D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.251D-03-0.105D-02-0.239D-02-0.230D-01 0.334D-04 0.323D+00
 Coeff-Com:  0.703D+00
 Coeff:      0.251D-03-0.105D-02-0.239D-02-0.230D-01 0.334D-04 0.323D+00
 Coeff:      0.703D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=1.12D-05 MaxDP=6.86D-04 DE=-1.09D-07 OVMax= 5.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.97D-06    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.19D+00
                    CP:  1.15D+00  1.14D+00
 E= -384.934621673715     Delta-E=       -0.000000024532 Rises=F Damp=F
 DIIS: error= 8.33D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -384.934621673715     IErMin= 8 ErrMin= 8.33D-07
 ErrMax= 8.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.33D-10 BMatP= 1.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.424D-04 0.164D-02 0.977D-03-0.110D-01-0.289D-01-0.150D-01
 Coeff-Com:  0.143D+00 0.910D+00
 Coeff:     -0.424D-04 0.164D-02 0.977D-03-0.110D-01-0.289D-01-0.150D-01
 Coeff:      0.143D+00 0.910D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.75D-06 MaxDP=2.40D-04 DE=-2.45D-08 OVMax= 1.70D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.13D-06    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.20D+00
                    CP:  1.18D+00  1.23D+00  1.10D+00
 E= -384.934621675224     Delta-E=       -0.000000001508 Rises=F Damp=F
 DIIS: error= 1.79D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -384.934621675224     IErMin= 9 ErrMin= 1.79D-07
 ErrMax= 1.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.38D-11 BMatP= 7.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.200D-04 0.374D-03 0.307D-03-0.109D-02-0.554D-02-0.185D-01
 Coeff-Com: -0.877D-02 0.183D+00 0.851D+00
 Coeff:     -0.200D-04 0.374D-03 0.307D-03-0.109D-02-0.554D-02-0.185D-01
 Coeff:     -0.877D-02 0.183D+00 0.851D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=5.14D-07 MaxDP=2.13D-05 DE=-1.51D-09 OVMax= 4.35D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.49D-07    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.20D+00
                    CP:  1.18D+00  1.25D+00  1.16D+00  1.17D+00
 E= -384.934621675312     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 1.10D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -384.934621675312     IErMin=10 ErrMin= 1.10D-07
 ErrMax= 1.10D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-11 BMatP= 4.38D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.292D-05-0.644D-04-0.341D-05 0.109D-02 0.172D-02-0.597D-02
 Coeff-Com: -0.242D-01-0.473D-01 0.371D+00 0.703D+00
 Coeff:     -0.292D-05-0.644D-04-0.341D-05 0.109D-02 0.172D-02-0.597D-02
 Coeff:     -0.242D-01-0.473D-01 0.371D+00 0.703D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.41D-07 MaxDP=1.21D-05 DE=-8.86D-11 OVMax= 1.62D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.20D+00
                    CP:  1.18D+00  1.25D+00  1.17D+00  1.24D+00  9.35D-01
 E= -384.934621675349     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 2.62D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -384.934621675349     IErMin=11 ErrMin= 2.62D-08
 ErrMax= 2.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.03D-13 BMatP= 1.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.778D-06-0.533D-04-0.297D-04 0.457D-03 0.102D-02-0.400D-03
 Coeff-Com: -0.670D-02-0.305D-01 0.395D-01 0.224D+00 0.773D+00
 Coeff:      0.778D-06-0.533D-04-0.297D-04 0.457D-03 0.102D-02-0.400D-03
 Coeff:     -0.670D-02-0.305D-01 0.395D-01 0.224D+00 0.773D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=9.16D-08 MaxDP=5.13D-06 DE=-3.72D-11 OVMax= 5.50D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.46D-08    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.20D+00
                    CP:  1.18D+00  1.25D+00  1.17D+00  1.25D+00  1.02D+00
                    CP:  1.09D+00
 E= -384.934621675312     Delta-E=        0.000000000037 Rises=F Damp=F
 DIIS: error= 9.24D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -384.934621675349     IErMin=12 ErrMin= 9.24D-09
 ErrMax= 9.24D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.63D-14 BMatP= 8.03D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.572D-06-0.105D-04-0.107D-04 0.338D-04 0.133D-03 0.510D-03
 Coeff-Com:  0.611D-03-0.466D-02-0.279D-01-0.459D-02 0.234D+00 0.802D+00
 Coeff:      0.572D-06-0.105D-04-0.107D-04 0.338D-04 0.133D-03 0.510D-03
 Coeff:      0.611D-03-0.466D-02-0.279D-01-0.459D-02 0.234D+00 0.802D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=2.50D-08 MaxDP=1.27D-06 DE= 3.74D-11 OVMax= 1.93D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  7.95D-09    CP:  1.71D+00  1.20D+00  1.20D+00  1.19D+00  1.20D+00
                    CP:  1.18D+00  1.25D+00  1.17D+00  1.25D+00  1.03D+00
                    CP:  1.16D+00  1.03D+00
 E= -384.934621675340     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 3.86D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -384.934621675349     IErMin=13 ErrMin= 3.86D-09
 ErrMax= 3.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-14 BMatP= 8.63D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.146D-06 0.180D-05-0.111D-05-0.355D-04-0.625D-04 0.219D-03
 Coeff-Com:  0.958D-03 0.157D-02-0.145D-01-0.263D-01-0.650D-02 0.288D+00
 Coeff-Com:  0.757D+00
 Coeff:      0.146D-06 0.180D-05-0.111D-05-0.355D-04-0.625D-04 0.219D-03
 Coeff:      0.958D-03 0.157D-02-0.145D-01-0.263D-01-0.650D-02 0.288D+00
 Coeff:      0.757D+00
 Gap=     0.363 Goal=   None    Shift=    0.000
 RMSDP=4.20D-09 MaxDP=1.47D-07 DE=-2.81D-11 OVMax= 6.97D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -384.934621675     A.U. after   13 cycles
            NFock= 13  Conv=0.42D-08     -V/T= 2.0047
 KE= 3.831391686301D+02 PE=-1.747306353566D+03 EE= 5.540022943650D+02
 Leave Link  502 at Mon Aug 16 21:24:22 2021, MaxMem=  5637144576 cpu:            1059.0 elap:             132.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.14658952D+03

 Leave Link  801 at Mon Aug 16 21:24:23 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.21D-01 8.19D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 4.32D-02 5.04D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.71D-03 1.26D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 2.86D-04 3.12D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 1.38D-05 6.58D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 6.45D-07 1.21D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 1.80D-08 2.26D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 4.23D-10 3.12D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 1.04D-11 4.61D-07.
      7 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 2.90D-13 8.02D-08.
      2 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 1.21D-14 1.97D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131722D+03
      2  0.140282D+01  0.108935D+03
      3 -0.279652D+01  0.276608D+01  0.713843D+02
 Isotropic polarizability for W=    0.085645      104.01 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.901014D+02 -0.855322D+01  0.104578D+02
      2   0.414951D+02  0.236230D+02 -0.503093D+01
      3   0.486063D+02 -0.150698D+02 -0.542689D+01
      4   0.240245D+02 -0.688668D+02 -0.170890D+02
      5   0.722243D+01 -0.171320D+02  0.987595D+01
      6  -0.574615D+01 -0.245087D+01  0.135305D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.149204D+01 -0.374307D+01 -0.609255D+01
      2   0.128303D+02 -0.701314D+01  0.373665D+01
      3   0.110286D+02  0.391173D+02  0.669422D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.430109D-01  0.258006D+01 -0.286003D+02
      2   0.323540D+01 -0.113429D+02 -0.387304D+02
      3   0.325777D+02  0.110362D+03  0.113859D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.170215D+00 -0.154488D+01 -0.736830D+00
      2  -0.154488D+01  0.125741D+01 -0.175953D+01
      3  -0.736830D+00 -0.175953D+01  0.859209D-01
 OR G Eigenvalues:    -2.3098     0.6765     2.8064  Iso=    -0.3910
 Eigenvectors:
   (1)   0.597253   0.547682   0.585947
   (2)   0.735315  -0.082137  -0.672730
   (3)  -0.320314   0.832645  -0.451776
 w=    0.085645 a.u., Optical Rotation Beta=     -0.3910 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =     -151.81 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 2.02D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.69D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.58D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 5.60D-02 3.40D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 1.19D-03 5.30D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.82D-05 8.09D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 3.38D-07 1.07D-04.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 4.95D-09 7.90D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 5.14D-11 7.94D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 3.60D-13 6.25D-08.
      9 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 5.53D-15 1.13D-08.
      2 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 1.28D-15 5.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   251 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131722D+03  0.140282D+01 -0.279652D+01
      2   0.140282D+01  0.108935D+03  0.276608D+01
      3  -0.279652D+01  0.276608D+01  0.713843D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.149204D+01 -0.374307D+01 -0.609255D+01
      2   0.128303D+02 -0.701314D+01  0.373665D+01
      3   0.110286D+02  0.391173D+02  0.669422D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.901014D+02 -0.855322D+01  0.104578D+02
      2   0.414951D+02  0.236230D+02 -0.503093D+01
      3   0.486063D+02 -0.150698D+02 -0.542689D+01
      4   0.240245D+02 -0.688668D+02 -0.170890D+02
      5   0.722243D+01 -0.171320D+02  0.987595D+01
      6  -0.574615D+01 -0.245087D+01  0.135305D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.411961D+01 -0.233349D+01  0.102159D+01 -0.510697D+01  0.339409D+01
      2  -0.233349D+01  0.217103D+01 -0.814510D+00  0.339409D+01 -0.442196D+01
      3   0.102159D+01 -0.814510D+00  0.139892D+01 -0.585603D+00  0.124346D+01
                 6             7             8             9            10 
      1  -0.585603D+00 -0.535185D+00 -0.605138D+00  0.116225D+01 -0.470560D+01
      2   0.124346D+01 -0.605138D+00  0.147140D+00 -0.968233D+00  0.922797D+00
      3  -0.251908D+00  0.116225D+01 -0.968233D+00 -0.514100D+01  0.110410D+01
                11            12            13            14            15 
      1   0.922797D+00  0.110410D+01  0.296289D+01 -0.426855D+01  0.219203D+00
      2  -0.218178D+01  0.324461D+00 -0.426855D+01  0.132582D+00 -0.624133D+00
      3   0.324461D+00 -0.791251D+00  0.219203D+00 -0.624133D+00  0.189549D+01
                16            17            18            19            20 
      1   0.265398D+01  0.196291D+00 -0.284459D+01 -0.962100D+00  0.180584D+00
      2   0.196291D+00 -0.941436D+00  0.282370D+01  0.180584D+00 -0.268577D+00
      3  -0.284459D+01  0.282370D+01  0.693245D+01  0.118868D+00  0.322310D+00
                21            22            23            24            25 
      1   0.118868D+00  0.584896D+00  0.148212D+00  0.913542D-01  0.247731D+01
      2   0.322310D+00  0.148212D+00 -0.557909D+00  0.547779D+00 -0.547892D+00
      3  -0.148679D+01  0.913542D-01  0.547779D+00  0.264259D+00  0.725494D+00
                26            27            28            29            30 
      1  -0.547892D+00  0.725494D+00  0.205766D+01 -0.423626D+00 -0.176282D+01
      2   0.191128D+01 -0.116236D+01 -0.423626D+00  0.697437D+00  0.297274D+00
      3  -0.116236D+01  0.698687D+01 -0.176282D+01  0.297274D+00  0.139817D+01
                31            32            33            34            35 
      1  -0.185886D+01  0.165257D+01  0.515802D+00 -0.484274D+01  0.656475D+00
      2   0.165257D+01 -0.119715D+01 -0.119411D+01  0.656475D+00 -0.161363D+01
      3   0.515802D+00 -0.119411D+01 -0.179017D+01  0.292983D+01 -0.187791D+01
                36            37            38            39            40 
      1   0.292983D+01 -0.715830D+01  0.207963D+01  0.836511D+00  0.409997D+01
      2  -0.187791D+01  0.207963D+01  0.264325D+01 -0.346260D+00  0.252121D+01
      3  -0.772791D+01  0.836511D+00 -0.346260D+00  0.146044D+01 -0.243940D+00
                41            42            43            44            45 
      1   0.252121D+01 -0.243940D+00  0.298415D+00  0.144858D+00  0.351587D+00
      2  -0.887912D+00  0.164844D+01  0.144858D+00  0.186092D+01 -0.389133D+01
      3   0.164844D+01 -0.397454D+01  0.351587D+00 -0.389133D+01 -0.380162D+01
                46            47            48            49            50 
      1   0.183884D+02 -0.222004D+01 -0.749416D+00 -0.219751D+01 -0.160635D+01
      2  -0.222004D+01  0.262885D+01 -0.855583D-01 -0.160635D+01 -0.217503D+00
      3  -0.749416D+00 -0.855583D-01  0.205362D+01 -0.476974D+00  0.147950D+00
                51            52            53            54            55 
      1  -0.476974D+00 -0.626452D+00 -0.421721D+00  0.395473D+01  0.199650D+00
      2   0.147950D+00 -0.421721D+00 -0.532258D-01 -0.363360D+00  0.249751D-01
      3  -0.577222D+00  0.395473D+01 -0.363360D+00 -0.136132D+01  0.580720D+00
                56            57            58            59            60 
      1   0.249751D-01  0.580720D+00  0.220291D+00  0.217716D+00  0.577795D-01
      2  -0.574076D+00 -0.117722D+00  0.217716D+00  0.186496D+01  0.108369D+01
      3  -0.117722D+00 -0.689191D+00  0.577795D-01  0.108369D+01  0.170592D+01
                61            62            63            64            65 
      1   0.223815D+01  0.781427D+00  0.670380D+00 -0.167690D+00  0.242586D+00
      2   0.781427D+00  0.221732D+01  0.229397D+01  0.242586D+00 -0.861448D+00
      3   0.670380D+00  0.229397D+01  0.604089D+01 -0.567321D+00  0.369904D+00
                66            67            68            69            70 
      1  -0.567321D+00  0.131478D+01  0.406363D+00 -0.663254D-01 -0.173936D+01
      2   0.369904D+00  0.406363D+00  0.520794D+01 -0.246453D+01 -0.566595D+00
      3  -0.601986D+00 -0.663254D-01 -0.246453D+01  0.262336D+01  0.160648D+00
                71            72            73            74            75 
      1  -0.566595D+00  0.160648D+00  0.121103D+02  0.499519D+00 -0.758795D+00
      2  -0.323370D+01  0.259089D+01  0.499519D+00  0.115877D+01 -0.249711D-02
      3   0.259089D+01 -0.289414D+01 -0.758795D+00 -0.249711D-02  0.119092D+01
                76            77            78            79            80 
      1  -0.197443D+01  0.770203D+00  0.684864D-01 -0.960092D+00 -0.762174D-01
      2   0.770203D+00 -0.289077D+00 -0.241771D+00 -0.762174D-01 -0.456836D+00
      3   0.684864D-01 -0.241771D+00 -0.173150D-01  0.124705D+01  0.420036D+00
                81            82            83            84            85 
      1   0.124705D+01 -0.536377D+01 -0.875865D+00 -0.236353D-01  0.839291D+01
      2   0.420036D+00 -0.875865D+00  0.340214D+01  0.718795D+00  0.133135D+00
      3  -0.711021D-01 -0.236353D-01  0.718795D+00  0.168192D+01 -0.800424D-01
                86            87            88            89            90 
      1   0.133135D+00 -0.800424D-01  0.171014D+01  0.576885D-01  0.172661D+01
      2   0.172280D+01 -0.556789D+00  0.576885D-01 -0.970126D+00  0.349630D+01
      3  -0.556789D+00  0.194704D+01  0.172661D+01  0.349630D+01  0.385265D+00
                91            92            93            94            95 
      1   0.409583D+01  0.898043D-01 -0.274824D+00  0.559709D+01 -0.264363D-01
      2   0.898043D-01 -0.268773D+01  0.285177D+00 -0.264363D-01  0.107385D+01
      3  -0.274824D+00  0.285177D+00 -0.914924D+00  0.139053D+00 -0.640252D+00
                96            97            98            99           100 
      1   0.139053D+00  0.377532D-01  0.612197D+00 -0.225400D+01 -0.593955D+01
      2  -0.640252D+00  0.612197D+00 -0.564335D+00  0.394090D+01  0.160175D-01
      3   0.226823D+01 -0.225400D+01  0.394090D+01  0.166902D+01 -0.495459D+00
               101           102           103           104           105 
      1   0.160175D-01 -0.495459D+00  0.553784D+00  0.622709D+00  0.583770D+00
      2  -0.327157D+01 -0.344718D-01  0.622709D+00 -0.394340D+00 -0.247800D+00
      3  -0.344718D-01 -0.281564D+01  0.583770D+00 -0.247800D+00 -0.614285D-01
               106           107           108           109           110 
      1  -0.357156D+00  0.691065D+00 -0.548811D+01  0.285475D+01 -0.394539D+00
      2   0.691065D+00  0.278295D+00  0.108023D+00 -0.394539D+00 -0.298430D+01
      3  -0.548811D+01  0.108023D+00  0.106713D+01 -0.528885D+00 -0.659038D+00
               111           112           113           114           115 
      1  -0.528885D+00 -0.588742D+01  0.554203D+00  0.618715D+00 -0.141313D+01
      2  -0.659038D+00  0.554203D+00 -0.361500D+00  0.666729D+00  0.371900D-01
      3  -0.151718D+01  0.618715D+00  0.666729D+00 -0.224552D+01 -0.290319D+01
               116           117           118           119           120 
      1   0.371900D-01 -0.290319D+01 -0.457409D+01  0.195398D+01  0.241735D+00
      2   0.105812D+01 -0.365829D+01  0.195398D+01  0.314065D+01 -0.153458D+00
      3  -0.365829D+01 -0.465420D+00  0.241735D+00 -0.153458D+00  0.128639D+01
               121           122           123           124           125 
      1  -0.705540D+01  0.673191D+00 -0.216484D+00 -0.667316D-01 -0.455520D+00
      2   0.673191D+00 -0.156854D+01  0.560436D+00 -0.455520D+00  0.876746D-01
      3  -0.216484D+00  0.560436D+00 -0.169169D+01  0.887111D+00 -0.360557D+01
               126           127           128           129           130 
      1   0.887111D+00  0.314570D+01  0.217639D+01  0.102028D-01  0.241788D+01
      2  -0.360557D+01  0.217639D+01  0.232685D+01  0.326809D-01  0.268915D+01
      3  -0.158931D+01  0.102028D-01  0.326809D-01  0.156168D+00  0.135051D+00
               131           132           133           134           135 
      1   0.268915D+01  0.135051D+00 -0.207451D+00  0.114213D+00 -0.859306D-01
      2   0.664791D+01  0.332226D+00  0.114213D+00  0.469431D+00  0.825201D-01
      3   0.332226D+00  0.737707D+00 -0.859306D-01  0.825201D-01  0.371988D-01
               136           137           138           139           140 
      1  -0.291054D+01  0.295599D+01  0.520996D+00  0.281322D+01 -0.404910D+01
      2   0.295599D+01 -0.317233D+01 -0.539415D+00 -0.404910D+01  0.869005D+01
      3   0.520996D+00 -0.539415D+00 -0.552534D+00 -0.582916D+00  0.118447D+01
               141           142           143           144           145 
      1  -0.582916D+00  0.611905D+00 -0.747766D+00 -0.183695D+00 -0.131839D+02
      2   0.118447D+01 -0.747766D+00  0.133096D+01  0.207014D+00  0.410800D+00
      3   0.109520D+01 -0.183695D+00  0.207014D+00  0.182544D+00  0.111496D+01
               146           147           148           149           150 
      1   0.410800D+00  0.111496D+01  0.451018D+00 -0.159945D+01 -0.216108D+00
      2  -0.872537D+00 -0.157699D-01 -0.159945D+01  0.134860D+00  0.138817D+00
      3  -0.157699D-01 -0.112758D+01 -0.216108D+00  0.138817D+00  0.805838D-01
               151           152           153           154           155 
      1   0.128635D+01 -0.213660D+00 -0.727625D-01 -0.402908D+01 -0.354306D+01
      2  -0.213660D+00  0.884240D-01  0.263861D-01 -0.354306D+01 -0.363948D+01
      3  -0.727625D-01  0.263861D-01  0.123981D+00 -0.113724D+00 -0.729800D-01
               156           157           158           159           160 
      1  -0.113724D+00 -0.349224D+01 -0.451263D+01 -0.334745D+00 -0.144198D+00
      2  -0.729800D-01 -0.451263D+01 -0.781882D+01 -0.446342D+00 -0.166705D+00
      3  -0.569234D+00 -0.334745D+00 -0.446342D+00 -0.903427D+00 -0.421744D-01
               161           162           163           164           165 
      1  -0.166705D+00 -0.421744D-01  0.202279D+01 -0.176246D+01 -0.274802D+00
      2  -0.541867D+00 -0.145765D+00 -0.176246D+01  0.234486D+01  0.491079D+00
      3  -0.145765D+00 -0.943150D-01 -0.274802D+00  0.491079D+00  0.439769D+00
               166           167           168           169           170 
      1  -0.183591D+01  0.227977D+01  0.373923D+00 -0.421504D+00  0.509809D+00
      2   0.227977D+01 -0.776024D+01 -0.113826D+01  0.509809D+00 -0.107441D+01
      3   0.373923D+00 -0.113826D+01 -0.110456D+01  0.587628D-01 -0.316907D+00
               171 
      1   0.587628D-01
      2  -0.316907D+00
      3  -0.279213D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174666D+01  0.137683D+01  0.322333D+01 -0.249219D+01  0.725333D+00
      2   0.106787D+01 -0.283633D+01  0.991600D+01  0.400635D+00  0.291892D+01
      3   0.164860D+01 -0.108955D+02  0.161896D+01 -0.434670D+00  0.957603D+01
                 6             7             8             9            10 
      1  -0.660774D+01 -0.531533D+00  0.142914D+01 -0.773539D+01 -0.410787D+00
      2  -0.151207D+01  0.341452D+01 -0.901462D+00 -0.114583D+02  0.213470D+01
      3  -0.205376D+01  0.171889D+01 -0.154742D+01  0.796329D+00 -0.223386D+01
                11            12            13            14            15 
      1   0.149479D+00 -0.195571D-02  0.295171D+01  0.202532D+01 -0.226284D+00
      2   0.280461D+00 -0.164245D+01 -0.889385D+00 -0.343701D+01  0.337162D+01
      3   0.224764D+01  0.258446D+00  0.141282D+02  0.408075D+00  0.173372D+01
                16            17            18            19            20 
      1   0.454391D+00  0.370943D+01 -0.182404D+01  0.937357D-01 -0.529445D+00
      2  -0.109116D+02  0.460493D+01  0.105299D+02  0.283775D+01  0.284240D+00
      3   0.798106D+00  0.393937D+01 -0.704630D+01  0.132992D+01  0.106368D+01
                21            22            23            24            25 
      1  -0.234577D+01 -0.166872D+00  0.134304D+01  0.265891D-01  0.740231D+00
      2  -0.358728D+01 -0.132761D+01  0.829682D+00  0.724577D+00 -0.294445D+01
      3  -0.787248D+00  0.969470D+00  0.640151D+00 -0.577129D+00 -0.601868D+00
                26            27            28            29            30 
      1   0.109243D+01  0.107055D+02 -0.171652D+00 -0.146356D+01  0.120513D+00
      2  -0.280774D+01  0.159564D+02 -0.218681D+01  0.602195D+00  0.311217D+01
      3  -0.309034D+01  0.341781D+01  0.572778D+00 -0.358017D+01 -0.402549D+00
                31            32            33            34            35 
      1  -0.187047D+01  0.103090D+01 -0.826607D+00  0.827797D-01  0.244886D+01
      2   0.256484D+00 -0.605939D+00 -0.325463D+01  0.655829D+00 -0.295170D+01
      3  -0.203507D+01  0.211020D+01  0.227528D+01 -0.292124D+00  0.285119D+01
                36            37            38            39            40 
      1  -0.213343D+00 -0.197016D+01 -0.367398D+00 -0.265454D+01 -0.802503D+00
      2  -0.126885D+02  0.307863D+01  0.479687D-02  0.646452D+01  0.608632D+00
      3   0.392945D+01 -0.173122D+02 -0.889019D+01  0.256482D+01 -0.137162D+01
                41            42            43            44            45 
      1  -0.441733D+01  0.348090D+01  0.106392D+01  0.749260D+01  0.409922D+01
      2   0.524360D+01 -0.107166D+02 -0.138316D+01 -0.110443D+02 -0.966525D+01
      3   0.737448D+01 -0.577231D+01  0.206581D+01 -0.531719D+01  0.141043D+02
                46            47            48            49            50 
      1   0.562471D+00  0.137492D+01  0.133098D+01  0.313307D+01 -0.190288D+01
      2  -0.173718D+01 -0.572701D+00 -0.743197D+00 -0.602168D+00 -0.444342D+00
      3   0.745503D+01  0.628430D+01 -0.157895D-01  0.167071D+02  0.740399D+00
                51            52            53            54            55 
      1   0.171499D+01  0.539738D+00  0.109100D+02  0.126164D+01 -0.416004D+00
      2  -0.600227D+00 -0.142409D+02 -0.751659D+00  0.110569D+00  0.262330D+01
      3  -0.467736D+00 -0.219236D+01 -0.285216D+01  0.466198D+00 -0.963077D+00
                56            57            58            59            60 
      1  -0.201981D+00  0.893195D+00 -0.195321D+00 -0.128153D+01 -0.424908D+01
      2  -0.174450D+00 -0.119835D+01 -0.535054D+00  0.280396D+01  0.500339D+01
      3   0.155455D+01  0.128881D+01  0.226453D+01 -0.496840D+01 -0.302912D+01
                61            62            63            64            65 
      1  -0.783492D+00 -0.622289D+00 -0.882979D+01  0.296348D+00 -0.590281D-02
      2  -0.175504D+01  0.596664D+01  0.159685D+02 -0.221767D+01  0.622406D+00
      3   0.174109D+01 -0.584382D+01 -0.702478D+01 -0.294806D+01  0.258899D+01
                66            67            68            69            70 
      1   0.138078D+01  0.193649D+00  0.154914D+01 -0.508302D+01  0.353250D+00
      2  -0.138750D+01  0.809717D+00 -0.600116D+01  0.641747D+01 -0.206327D+01
      3  -0.199003D+01  0.420593D+01 -0.145504D+02  0.730094D+01 -0.216876D+01
                71            72            73            74            75 
      1  -0.124217D+01  0.386917D+01  0.220246D+00 -0.336111D+00 -0.139129D+01
      2   0.580392D+01 -0.677799D+01 -0.515803D+00  0.297615D+00  0.595451D+01
      3   0.883590D+01 -0.762969D+01  0.135017D+02 -0.613949D+01 -0.108262D+01
                76            77            78            79            80 
      1  -0.185014D+00  0.346828D+00 -0.486682D+00 -0.993939D+00  0.557500D+00
      2   0.550546D-01 -0.494899D+00 -0.353674D+00  0.208535D+01  0.110247D+01
      3  -0.261947D+01  0.213373D+01  0.905054D+00 -0.115537D+01  0.142668D+01
                81            82            83            84            85 
      1  -0.169374D+00 -0.152636D+01  0.333497D+00 -0.312696D+01  0.946824D+00
      2   0.167048D+00 -0.268693D+01 -0.405191D-01 -0.165185D+01  0.269341D+01
      3  -0.490524D+00 -0.661334D+01 -0.586685D+00  0.132219D+01  0.517615D+01
                86            87            88            89            90 
      1   0.372027D+00 -0.226296D+01 -0.596338D+01  0.241439D+01  0.680673D+00
      2  -0.428994D+00 -0.529243D+00 -0.134894D+02  0.316555D-01  0.622237D+00
      3   0.481886D+01 -0.594130D+00  0.187969D+01  0.127787D+00  0.493465D+01
                91            92            93            94            95 
      1   0.194810D+01 -0.759691D+00  0.197996D+01  0.107208D+00  0.139870D+00
      2   0.465754D+00  0.376056D+00  0.445826D+00  0.818323D+00  0.206572D+01
      3   0.384841D+01 -0.108671D+02 -0.118589D+01  0.614243D+01  0.175547D+01
                96            97            98            99           100 
      1  -0.303704D+01  0.562757D+01  0.163690D+01 -0.905052D+00 -0.803704D-01
      2  -0.604230D+01 -0.725254D+01 -0.103046D+02 -0.206167D+01 -0.570527D-01
      3  -0.141130D+01 -0.444384D-01 -0.921603D+00  0.536220D+01 -0.640027D+00
               101           102           103           104           105 
      1   0.746016D+00  0.636926D+00  0.208378D+00 -0.193392D+01  0.275308D+01
      2  -0.122552D+00  0.794413D+01 -0.226563D+01  0.161994D+00  0.135864D+00
      3  -0.724543D+01  0.558379D-01  0.109936D+02 -0.333355D+01 -0.164789D+01
               106           107           108           109           110 
      1   0.112405D+01  0.115329D+02  0.142465D+01 -0.126022D+01 -0.277118D+00
      2   0.853721D+01 -0.527548D+00 -0.226351D+01  0.108425D+01  0.188449D+01
      3   0.183200D+01 -0.655986D+00 -0.658843D+00  0.828329D+00 -0.133358D+02
               111           112           113           114           115 
      1  -0.285774D+01  0.125853D+01  0.247948D+00 -0.228457D+01 -0.647867D+01
      2   0.179276D+01 -0.678304D+00 -0.183771D+01  0.584061D+01 -0.488315D+01
      3  -0.157040D+01  0.350168D+01  0.211244D+01  0.113972D+01  0.457584D+00
               116           117           118           119           120 
      1   0.291556D+01  0.104246D+01  0.533741D+00 -0.344685D+00  0.237441D+01
      2   0.103196D+02  0.224496D+01 -0.306260D+01  0.109201D+01 -0.145402D+01
      3   0.303369D+01 -0.448068D+01 -0.919228D+00 -0.125081D+01 -0.139794D+01
               121           122           123           124           125 
      1  -0.934934D+00 -0.416533D+00 -0.272422D+01  0.502131D+01  0.201830D+01
      2   0.350757D+00  0.520297D+00  0.162718D+01 -0.135853D+02  0.119797D+01
      3   0.121856D+01 -0.846812D+01  0.888130D-01 -0.263800D+01  0.527882D+00
               126           127           128           129           130 
      1  -0.113044D+01  0.204112D+00  0.255541D+00 -0.143727D+01 -0.230547D+00
      2   0.168384D+01 -0.605401D+00 -0.103221D+00  0.150316D+00 -0.105671D+00
      3  -0.562984D+01  0.974509D+01  0.437895D+01 -0.844261D-01  0.843131D+01
               131           132           133           134           135 
      1  -0.293164D+00 -0.346102D+01  0.507902D+00  0.186438D+01 -0.807376D-01
      2  -0.425032D+00  0.863207D+00 -0.188609D+01 -0.459687D+00 -0.386108D-02
      3   0.675101D+01  0.411895D+00 -0.362882D+00  0.185210D+00 -0.984728D-02
               136           137           138           139           140 
      1  -0.225856D+00  0.123303D+00  0.203505D+01  0.127730D+00  0.182108D+00
      2  -0.503011D+00  0.757954D+00  0.210026D+01  0.509260D+00 -0.195524D+01
      3   0.921294D+00 -0.343238D+01 -0.450658D+00 -0.168462D+01  0.131992D+02
               141           142           143           144           145 
      1  -0.433364D+01 -0.554429D+00  0.191669D+01 -0.409161D+00 -0.134258D+00
      2  -0.342960D+01 -0.561810D+00  0.396006D+00 -0.452049D+00 -0.171493D+01
      3   0.168225D+01 -0.377272D+00  0.164220D+01  0.476870D-01 -0.400218D+00
               146           147           148           149           150 
      1  -0.355581D+00  0.288550D+00 -0.163798D+00 -0.200105D-01 -0.354876D+00
      2  -0.628620D-01  0.677927D+01  0.777597D+00 -0.278754D+00 -0.396212D+00
      3  -0.553442D+01  0.147423D+00 -0.376436D+01  0.315821D+00  0.322720D+00
               151           152           153           154           155 
      1  -0.398695D-01  0.580891D+00  0.610836D-02  0.212136D+00  0.466326D+00
      2  -0.287835D+01 -0.289192D-01 -0.528169D+00 -0.431282D+00 -0.380072D+00
      3  -0.825266D+00  0.531633D+00  0.166297D+00 -0.124093D+01 -0.475954D+01
               156           157           158           159           160 
      1  -0.223603D+01 -0.130030D+00  0.177508D+00 -0.384502D+01  0.790923D+00
      2   0.251370D+01  0.196840D+00  0.331132D+00  0.337789D+01 -0.866268D+00
      3   0.133908D-01 -0.288658D+01 -0.123352D+02 -0.441802D+00 -0.371424D+00
               161           162           163           164           165 
      1   0.160994D+01 -0.162806D+00  0.378112D+00 -0.184443D+00  0.178787D+01
      2  -0.569824D+00  0.220530D+00  0.102802D+01 -0.526627D+00  0.183170D+00
      3  -0.126071D+01 -0.184412D+00 -0.728222D+01  0.393123D+01  0.314774D+00
               166           167           168           169           170 
      1  -0.357032D+00  0.742447D+00 -0.388480D+01 -0.258771D+00  0.220280D+01
      2  -0.107290D+01  0.103377D+01 -0.527231D+00 -0.185284D+01  0.222470D+00
      3   0.691864D+01 -0.757840D+01 -0.126350D+01  0.536595D+00 -0.161232D+01
               171 
      1  -0.246358D+00
      2  -0.206516D+00
      3  -0.700298D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183897D+02 -0.187332D+01 -0.883237D+00 -0.686293D+01 -0.264243D+01
      2  -0.864825D+01 -0.368536D+01 -0.287052D+01 -0.243824D+00  0.148584D+02
      3  -0.974146D+01  0.555868D+01  0.375376D+01  0.710675D+01 -0.122160D+02
      4  -0.159275D+02  0.216213D+02 -0.313094D+01  0.274771D+02 -0.259303D+02
      5   0.682232D+01 -0.356662D+01  0.143449D+02 -0.558055D+01  0.643660D+01
      6  -0.281941D+01  0.291759D+01 -0.520318D+01  0.476483D+01 -0.701998D+01
                 6             7             8             9            10 
      1   0.292958D+01  0.457518D+00 -0.156351D+00  0.105137D+02  0.104557D+02
      2   0.581253D-01  0.120458D+01 -0.294237D+01  0.221333D+01 -0.588821D+01
      3  -0.298771D+01 -0.166210D+01  0.309872D+01 -0.127270D+02 -0.456748D+01
      4   0.675638D+01 -0.542533D+01  0.419208D+01 -0.895661D+01  0.465055D+01
      5  -0.368451D+01  0.130656D+02 -0.644183D+01 -0.161569D+02  0.467549D+01
      6   0.946185D+01 -0.532652D+01  0.588242D+01  0.705807D+01 -0.223312D+01
                11            12            13            14            15 
      1  -0.213472D+01  0.133731D+01 -0.424382D+01 -0.752435D+01  0.100054D+01
      2  -0.747945D+00 -0.194653D+01 -0.177102D+01 -0.160198D+01  0.107944D+01
      3   0.288266D+01  0.609226D+00  0.601484D+01  0.912633D+01 -0.207998D+01
      4  -0.195151D+02  0.388752D+00 -0.301721D+02 -0.426608D+00 -0.389076D+01
      5   0.384870D+00 -0.100518D+02  0.379548D+01 -0.319898D+01  0.862091D+01
      6  -0.202780D+01  0.779578D+00 -0.233338D+01  0.151157D+01 -0.598594D+01
                16            17            18            19            20 
      1  -0.101033D+02  0.150663D+01 -0.273347D+00 -0.577576D+00 -0.209486D+01
      2  -0.632571D+01  0.655783D+01  0.106980D+02 -0.217527D+00  0.124666D+01
      3   0.164290D+02 -0.806447D+01 -0.104246D+02  0.795103D+00  0.848195D+00
      4   0.502014D+01 -0.877075D+01  0.152912D+02 -0.444257D-01 -0.198109D+01
      5  -0.161416D+02  0.140419D+02  0.270405D+02  0.934820D+00  0.381673D+00
      6   0.820835D+01  0.489091D+00 -0.566894D+01  0.291330D-01 -0.142483D+01
                21            22            23            24            25 
      1   0.559771D+01  0.194190D-01 -0.251740D+01 -0.233827D-01  0.676173D+01
      2   0.101622D-01 -0.847232D+00  0.225826D+01 -0.244962D+01 -0.367293D+01
      3  -0.560788D+01  0.827813D+00  0.259137D+00  0.247300D+01 -0.308880D+01
      4  -0.652089D+00  0.121127D+01 -0.139701D+01  0.176870D+01 -0.522210D+01
      5  -0.418502D+01  0.157368D+00  0.141486D+01  0.117911D+01  0.599569D+01
      6   0.302091D+01  0.376588D+00 -0.137228D+01  0.283003D+01 -0.108739D+01
                26            27            28            29            30 
      1   0.257578D+01 -0.140337D+02  0.540891D+01 -0.821912D+00 -0.426014D+01
      2  -0.149357D+01 -0.888047D+01 -0.642034D+01  0.122662D+01  0.473577D+01
      3  -0.108221D+01  0.229141D+02  0.101143D+01 -0.404711D+00 -0.475638D+00
      4   0.680619D+01 -0.249435D+01 -0.296717D+01  0.705622D+01  0.252276D+01
      5  -0.426781D+01  0.248910D+02 -0.989429D+01  0.246607D+01  0.125160D+02
      6   0.485955D+01 -0.139593D+02  0.253076D+01 -0.364625D+00 -0.140842D+01
                31            32            33            34            35 
      1  -0.506477D+00 -0.249221D+01 -0.271198D+01 -0.344097D+01 -0.335152D+01
      2   0.182407D+01 -0.179689D+00 -0.690339D+00  0.978945D+01 -0.196422D+01
      3  -0.131759D+01  0.267190D+01  0.340232D+01 -0.634848D+01  0.531574D+01
      4   0.988226D+01 -0.563075D+01 -0.553382D+01  0.367930D+01 -0.711819D+01
      5   0.351036D+01 -0.498170D+01 -0.775246D+01  0.188979D+02 -0.803324D+01
      6  -0.198205D+01  0.413702D+01  0.885552D+01 -0.475527D+01  0.593713D+01
                36            37            38            39            40 
      1  -0.104900D+02 -0.520653D+02  0.940728D+00  0.661633D+01  0.148126D+02
      2  -0.159245D+02  0.326856D+02  0.517589D+01 -0.443319D+01 -0.317238D+01
      3   0.264145D+02  0.193797D+02 -0.611661D+01 -0.218314D+01 -0.116402D+02
      4  -0.922560D+01  0.355857D+01  0.185884D+02 -0.273475D+00  0.194545D+02
      5  -0.321153D+02  0.728821D+01 -0.143693D+01  0.916959D+01 -0.133377D+01
      6   0.990397D+01  0.310798D+01 -0.993056D+00  0.589970D+01 -0.149967D+00
                41            42            43            44            45 
      1   0.165356D+02 -0.480786D+01  0.672432D+01 -0.324427D+01  0.161749D+02
      2  -0.651649D+01  0.629106D+01 -0.153259D+01  0.592039D+01 -0.113853D+02
      3  -0.100191D+02 -0.148320D+01 -0.519172D+01 -0.267612D+01 -0.478965D+01
      4   0.246153D+01  0.754330D+01  0.203295D+01  0.877141D+01 -0.160596D+02
      5   0.772563D+01 -0.181633D+02  0.271822D+01 -0.183138D+02 -0.189848D+02
      6   0.831115D+01 -0.110469D+02  0.138311D+00 -0.132653D+02 -0.662874D+01
                46            47            48            49            50 
      1  -0.204818D+02 -0.826539D+00 -0.940033D+00  0.329760D+01 -0.554205D+01
      2   0.663315D+01  0.823669D+00 -0.557827D+00  0.571620D+00  0.124449D+02
      3   0.138487D+02  0.287007D-02  0.149786D+01 -0.386922D+01 -0.690282D+01
      4  -0.958532D+01  0.546821D+01 -0.281314D+00 -0.944751D+01  0.241639D+01
      5  -0.275928D+01 -0.176527D+00  0.219304D+01 -0.197465D+01  0.620590D+00
      6  -0.663197D+00 -0.479497D+00 -0.136312D+01  0.131618D+01  0.192805D+01
                51            52            53            54            55 
      1  -0.256244D+00  0.501766D+01  0.757200D-01 -0.931108D+01  0.367584D+01
      2   0.233843D+01 -0.180485D+01  0.590620D+00 -0.387423D+01 -0.267960D+01
      3  -0.208218D+01 -0.321281D+01 -0.666340D+00  0.131853D+02 -0.996243D+00
      4   0.102285D+01 -0.114655D+01  0.275375D+01 -0.163214D+01  0.360758D+00
      5  -0.175360D+01  0.465734D+01 -0.175390D+01  0.110452D+00  0.193722D+01
      6  -0.365252D+01  0.118445D+00  0.456729D+01 -0.120376D+01  0.203179D+01
                56            57            58            59            60 
      1   0.213925D+01  0.393792D+01  0.180628D+01 -0.667325D+01 -0.418725D+01
      2  -0.204566D+01 -0.962054D+00 -0.132437D+00  0.720631D+01  0.419137D+01
      3  -0.935932D-01 -0.297587D+01 -0.167384D+01 -0.533061D+00 -0.412589D-02
      4  -0.161339D+01  0.155909D+01  0.351981D+01  0.859332D+01  0.492765D+01
      5   0.460767D+00 -0.444227D+00  0.969280D+00  0.506862D+01  0.892492D+01
      6  -0.654193D+00 -0.168051D+01  0.731832D+00  0.547739D+01  0.105903D+02
                61            62            63            64            65 
      1   0.833843D+01 -0.415439D+01 -0.122594D+02  0.671571D+00  0.471620D+01
      2  -0.456256D+01  0.456174D+01 -0.189334D+00  0.101622D+00 -0.422419D+01
      3  -0.377587D+01 -0.407343D+00  0.124487D+02 -0.773193D+00 -0.492006D+00
      4   0.815976D+01  0.109522D+02  0.993872D+01  0.387119D-01 -0.116501D+01
      5   0.706274D+01  0.114329D+02  0.291109D+02 -0.193729D+01  0.292620D+00
      6   0.196431D+01  0.111214D+02  0.184472D+02 -0.232743D+01  0.219618D+01
                66            67            68            69            70 
      1  -0.478068D+01  0.520535D+01 -0.154024D+02  0.840696D+01 -0.642182D+01
      2   0.240031D+01 -0.220069D+01  0.220024D+02 -0.934415D+01  0.289152D+01
      3   0.238037D+01 -0.300467D+01 -0.659996D+01  0.937198D+00  0.353030D+01
      4  -0.834465D+00  0.729771D+01  0.233412D+02 -0.109035D+02 -0.671665D+01
      5  -0.116276D+01 -0.176001D+01 -0.113623D+02  0.125154D+02  0.382938D+01
      6  -0.293621D+01 -0.104733D+01 -0.132445D+02  0.127366D+02  0.100587D+01
                71            72            73            74            75 
      1   0.863090D+01 -0.113730D+02  0.848569D+02  0.114975D+01 -0.510120D+01
      2  -0.935529D+01  0.507317D+01 -0.457422D+02  0.173422D+01  0.339988D+01
      3   0.724395D+00  0.629985D+01 -0.391147D+02 -0.288397D+01  0.170133D+01
      4  -0.147377D+02  0.108592D+02  0.179569D+02  0.114182D+02 -0.104801D+01
      5   0.120884D+02 -0.124633D+02 -0.760743D+01 -0.157816D+00  0.113050D+02
      6   0.131582D+02 -0.126921D+02 -0.189306D+01 -0.354111D+00  0.271212D+01
                76            77            78            79            80 
      1  -0.132223D+02  0.491220D+01  0.107694D+01 -0.589595D+01  0.408787D+00
      2   0.904626D+01 -0.207020D+01 -0.120702D+01  0.391364D+01 -0.100037D+01
      3   0.417608D+01 -0.284200D+01  0.130085D+00  0.198231D+01  0.591583D+00
      4   0.700536D+01 -0.155402D+01 -0.132747D+01 -0.154325D+01 -0.248121D+01
      5   0.828952D+00 -0.152885D+01 -0.108219D+01  0.118000D+02  0.192527D+01
      6  -0.202606D+00 -0.516045D+00  0.155765D+01  0.171276D+01  0.251061D+01
                81            82            83            84            85 
      1   0.556483D+01  0.642569D+01 -0.157027D+02 -0.287107D+01  0.349047D+00
      2  -0.419169D+01 -0.548352D+01  0.110257D+02  0.107146D+01 -0.107133D+02
      3  -0.137314D+01 -0.942167D+00  0.467700D+01  0.179961D+01  0.103643D+02
      4   0.278475D+01 -0.757069D+01 -0.127827D+02  0.734148D+00  0.524227D+01
      5  -0.152508D+01 -0.136933D+01  0.997846D+00 -0.296195D+01  0.555601D+00
      6   0.237145D+00  0.280199D+01  0.112038D+01  0.652116D+01 -0.413803D+01
                86            87            88            89            90 
      1   0.227904D+01  0.145388D+01 -0.667796D+00  0.413198D+01 -0.148464D+02
      2  -0.691569D+01 -0.142737D+01 -0.827531D+00 -0.491881D+01  0.254073D+01
      3   0.463665D+01 -0.265173D-01  0.149533D+01  0.786834D+00  0.123057D+02
      4  -0.133751D+02 -0.135714D+01 -0.433524D+00  0.217036D+01 -0.301237D+01
      5  -0.136090D+01  0.705141D+00  0.278029D+01 -0.361158D+01  0.173258D+01
      6  -0.211129D+01  0.611011D+01  0.383708D+01  0.143046D+02 -0.121313D+01
                91            92            93            94            95 
      1   0.193239D+01  0.203108D+02  0.301411D+00 -0.246807D+02  0.939009D+01
      2  -0.275832D+01 -0.128059D+02 -0.229905D+00  0.241327D+02 -0.146030D+02
      3   0.825935D+00 -0.750491D+01 -0.715063D-01  0.547963D+00  0.521291D+01
      4   0.130682D+02 -0.444445D+01 -0.456645D+01  0.789646D+01  0.622652D+01
      5   0.283102D+01 -0.478378D+01 -0.250155D+00 -0.832576D+00  0.390670D+01
      6  -0.463727D+01  0.315316D+01 -0.488901D+01  0.306837D+01 -0.635196D+01
                96            97            98            99           100 
      1   0.125471D+01 -0.980848D+00 -0.309094D+01 -0.471472D+01 -0.100568D+02
      2  -0.441324D+01  0.401829D+01 -0.263500D+01 -0.424475D+01  0.544339D+01
      3   0.315853D+01 -0.303744D+01  0.572595D+01  0.895947D+01  0.461346D+01
      4   0.392914D+01 -0.494897D+01  0.716373D+01 -0.163254D+02  0.117214D+01
      5  -0.127844D+02  0.145570D+02 -0.161332D+02 -0.472740D+01  0.800571D+01
      6   0.660437D+01 -0.682394D+01  0.156840D+02  0.268109D+01  0.263489D+00
               101           102           103           104           105 
      1   0.163135D+01  0.593463D+01 -0.244401D+01 -0.200524D+02 -0.356805D+01
      2  -0.106363D+01 -0.336268D+01  0.195815D+01  0.186914D+02  0.575762D+01
      3  -0.567716D+00 -0.257196D+01  0.485859D+00  0.136091D+01 -0.218958D+01
      4   0.229949D+02  0.286211D+00 -0.212158D+02  0.547105D+01  0.300177D+01
      5   0.257898D+00  0.179129D+02 -0.675147D+01  0.252625D+01  0.135891D+00
      6  -0.514280D+00 -0.129404D+01  0.282400D+01  0.212448D+01 -0.621548D+01
               106           107           108           109           110 
      1   0.870018D+01 -0.409536D+01  0.147589D+02  0.230651D+01 -0.216526D+02
      2  -0.314174D+01  0.341122D+01 -0.190395D+02 -0.402318D+01  0.122281D+02
      3  -0.555844D+01  0.684145D+00  0.428061D+01  0.171666D+01  0.942444D+01
      4  -0.713707D+01 -0.111632D+01 -0.822555D+00 -0.173813D+02  0.177279D+01
      5   0.364555D+02 -0.231230D+00 -0.483635D+01 -0.110690D+00  0.447983D+01
      6  -0.916563D+00  0.508451D+01 -0.250142D+01  0.309096D+01  0.238965D+01
               111           112           113           114           115 
      1  -0.315784D+01  0.249889D+02  0.658931D+01  0.742407D+00  0.532838D+01
      2  -0.110609D+00 -0.251265D+02 -0.120209D+02 -0.414337D+00 -0.558809D+01
      3   0.326845D+01  0.137558D+00  0.543162D+01 -0.328070D+00  0.259708D+00
      4   0.430010D+01  0.484176D+01 -0.131042D+02 -0.534782D+01  0.212405D+01
      5   0.370184D+01 -0.182803D+01 -0.493112D+01  0.125970D+02  0.187128D+02
      6   0.624520D+01 -0.432795D+01 -0.303456D+01  0.606588D+01  0.789797D+01
               116           117           118           119           120 
      1   0.494278D+01 -0.205124D+00  0.803351D+01  0.125942D+02 -0.506367D+00
      2  -0.594669D+01 -0.681687D+01 -0.603417D+01 -0.841876D+01  0.143682D+01
      3   0.100391D+01  0.702199D+01 -0.199934D+01 -0.417548D+01 -0.930452D+00
      4  -0.394334D+01  0.155390D+02  0.109840D+02 -0.168611D+02 -0.276918D+01
      5   0.160797D+02  0.487248D+01 -0.199617D+00 -0.310529D+01 -0.417292D+01
      6   0.143164D+02 -0.105980D+01 -0.247520D+01  0.176291D+01 -0.492767D+01
               121           122           123           124           125 
      1  -0.174948D+01  0.641859D+01  0.373880D+01 -0.175490D+01  0.111138D+00
      2   0.862737D+01 -0.110285D+02 -0.403832D+01  0.289706D+01 -0.392829D+01
      3  -0.687789D+01  0.460988D+01  0.299519D+00 -0.114216D+01  0.381715D+01
      4   0.995535D+01  0.133475D+02  0.141627D+01  0.161440D+01  0.300940D+01
      5   0.129497D+01  0.126347D+01  0.723428D+00 -0.422888D+00  0.525929D+01
      6   0.303633D+01 -0.606248D+01  0.500945D+01 -0.380132D+01  0.138963D+02
               126           127           128           129           130 
      1  -0.163354D+02 -0.245904D+01 -0.625138D+01 -0.394923D-01 -0.749431D+01
      2   0.208935D+01  0.535387D+01  0.925131D+01  0.212562D+00  0.108310D+02
      3   0.142461D+02 -0.289483D+01 -0.299994D+01 -0.173069D+00 -0.333670D+01
      4   0.539918D+01  0.828073D+01  0.730934D+01  0.338033D+00  0.760126D+01
      5   0.418250D+01  0.350317D+00  0.500661D+00  0.720343D+00  0.521874D+00
      6   0.390146D+01 -0.310947D+00 -0.170515D+00  0.146531D+01  0.547500D+00
               131           132           133           134           135 
      1  -0.237279D+02 -0.125473D+01 -0.855691D+00 -0.171185D+01 -0.818273D+00
      2   0.327417D+02  0.112570D+01  0.843257D+00  0.211462D+01  0.122074D+01
      3  -0.901384D+01  0.129032D+00  0.124335D-01 -0.402768D+00 -0.402468D+00
      4   0.602450D+01  0.244365D+00  0.355296D+00 -0.272085D+00  0.117282D+01
      5   0.875176D+00  0.835324D+00  0.552943D+00  0.683002D+00  0.297888D-01
      6   0.134094D+01  0.542609D+01  0.464968D+00  0.141406D+01  0.562113D+00
               136           137           138           139           140 
      1   0.861540D+01 -0.628025D+01 -0.817597D+00 -0.173919D+01 -0.105142D+02
      2   0.227185D+01 -0.498847D+01 -0.124358D+00 -0.106623D+02  0.326844D+02
      3  -0.108873D+02  0.112687D+02  0.941955D+00  0.124015D+02 -0.221702D+02
      4  -0.227213D+02  0.260478D+02  0.397035D+01  0.282641D+02 -0.484383D+02
      5  -0.335414D+01  0.354303D+01  0.487616D+01  0.352023D+01 -0.546907D+01
      6   0.260481D+01 -0.302936D+01 -0.303582D+01 -0.358984D+01  0.761999D+01
               141           142           143           144           145 
      1  -0.164600D+01 -0.834695D+00 -0.692470D+00 -0.765551D+00  0.997239D+02
      2   0.293682D+01 -0.118951D+01  0.362420D+01  0.168662D+01 -0.575098D+02
      3  -0.129082D+01  0.202421D+01 -0.293173D+01 -0.921070D+00 -0.422141D+02
      4  -0.633924D+01  0.519342D+01 -0.772438D+01 -0.253038D+01 -0.591009D+01
      5  -0.565446D+01  0.189661D+01 -0.178375D+01 -0.150111D+01 -0.100570D+02
      6   0.776491D+01 -0.159543D+01  0.301375D+01  0.187987D+01 -0.114343D+01
               146           147           148           149           150 
      1  -0.272779D+01 -0.698315D+01 -0.262297D+01  0.926990D+01  0.919737D+00
      2   0.125913D+01  0.491424D+01  0.115192D+01 -0.457949D+01 -0.822231D+00
      3   0.146866D+01  0.206891D+01  0.147105D+01 -0.469041D+01 -0.975058D-01
      4   0.929631D+01  0.292036D+00  0.149709D+02 -0.148947D+01 -0.117979D+01
      5   0.125430D+00  0.115368D+02  0.173654D+01 -0.109091D+01 -0.644787D+00
      6  -0.560554D+00 -0.206329D+00 -0.855861D+00 -0.108047D+00  0.169843D+01
               151           152           153           154           155 
      1  -0.931821D+01  0.106145D+01  0.309705D+01  0.157861D+02  0.104112D+02
      2   0.555761D+01 -0.744255D+00 -0.191737D+01 -0.894298D+00  0.333618D+01
      3   0.376060D+01 -0.317196D+00 -0.117968D+01 -0.148918D+02 -0.137474D+02
      4   0.213351D+01 -0.100230D+01 -0.430741D+00  0.285146D+02  0.294807D+02
      5   0.271596D+01 -0.298751D+00 -0.186177D+01  0.188023D+01  0.135787D+01
      6  -0.548051D-01  0.746733D+00  0.300761D+00  0.330963D+00  0.146964D+00
               156           157           158           159           160 
      1   0.646135D+00  0.620091D+01 -0.188795D+01  0.302942D-01 -0.648735D+00
      2  -0.226510D+00  0.849552D+01  0.237458D+02  0.419979D+00  0.955319D+00
      3  -0.419625D+00 -0.146964D+02 -0.218578D+02 -0.450273D+00 -0.306585D+00
      4   0.923418D+00  0.322833D+02  0.473285D+02  0.271005D+01  0.116582D+01
      5   0.518701D+01  0.276981D+01  0.359800D+01  0.546635D+01  0.159036D+01
      6   0.299258D+01  0.150001D+01  0.221650D+01  0.634365D+01  0.120532D+01
               161           162           163           164           165 
      1  -0.990676D+00 -0.381186D+00 -0.501162D+01  0.834287D+01  0.224065D+01
      2   0.186936D+01  0.119745D+01  0.599499D+01 -0.102628D+02 -0.149267D+01
      3  -0.878681D+00 -0.816264D+00 -0.983363D+00  0.191993D+01 -0.747983D+00
      4   0.250521D+01  0.221086D+01 -0.507437D+01  0.624345D+01  0.100711D+01
      5   0.128879D+01  0.395989D+00 -0.232749D+00  0.744489D+00  0.114952D+01
      6   0.206520D+01  0.739348D+00  0.171119D+01 -0.311402D+01 -0.269225D+01
               166           167           168           169           170 
      1   0.795087D+01 -0.290414D+02 -0.494241D+01  0.145901D+01 -0.380139D+01
      2  -0.989852D+01  0.381287D+02  0.429619D+01 -0.156088D+01  0.443484D+01
      3   0.194765D+01 -0.908728D+01  0.646222D+00  0.101868D+00 -0.633451D+00
      4   0.565457D+01 -0.246193D+01 -0.237446D+00  0.109478D+01 -0.115806D+01
      5   0.400587D+00  0.487987D+00 -0.183733D+00  0.998590D+00 -0.527382D+00
      6  -0.233516D+01  0.792009D+01  0.723025D+01 -0.789323D+00  0.314885D+01
               171 
      1  -0.189173D+01
      2   0.215511D+01
      3  -0.263381D+00
      4  -0.170610D+01
      5  -0.990818D+00
      6   0.198227D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:49:50 2021, MaxMem=  5637144576 cpu:           12189.2 elap:            1527.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90965 -10.08302 -10.04115 -10.03422 -10.03380
 Alpha  occ. eigenvalues --  -10.03346 -10.03307 -10.03054 -10.01918  -1.09366
 Alpha  occ. eigenvalues --   -0.94566  -0.86506  -0.83443  -0.81329  -0.72937
 Alpha  occ. eigenvalues --   -0.69263  -0.67334  -0.62210  -0.57285  -0.55704
 Alpha  occ. eigenvalues --   -0.54524  -0.52788  -0.51555  -0.50541  -0.47615
 Alpha  occ. eigenvalues --   -0.46456  -0.45681  -0.44479  -0.42332  -0.40165
 Alpha  occ. eigenvalues --   -0.36927  -0.34667  -0.33468
 Alpha virt. eigenvalues --    0.02818   0.03475   0.03832   0.04302   0.04650
 Alpha virt. eigenvalues --    0.04835   0.05281   0.05722   0.06776   0.07222
 Alpha virt. eigenvalues --    0.07681   0.08943   0.10546   0.11325   0.12614
 Alpha virt. eigenvalues --    0.12886   0.13272   0.13505   0.13790   0.14068
 Alpha virt. eigenvalues --    0.14481   0.14653   0.14981   0.15376   0.15972
 Alpha virt. eigenvalues --    0.16638   0.17039   0.17495   0.17748   0.18166
 Alpha virt. eigenvalues --    0.18522   0.19364   0.19817   0.20129   0.20789
 Alpha virt. eigenvalues --    0.22354   0.23185   0.23935   0.24664   0.25510
 Alpha virt. eigenvalues --    0.26224   0.26359   0.26951   0.27606   0.28236
 Alpha virt. eigenvalues --    0.28521   0.29616   0.29899   0.30125   0.30752
 Alpha virt. eigenvalues --    0.31041   0.31359   0.32319   0.32854   0.33468
 Alpha virt. eigenvalues --    0.33717   0.34318   0.35321   0.35786   0.36605
 Alpha virt. eigenvalues --    0.37218   0.37991   0.39114   0.39391   0.40005
 Alpha virt. eigenvalues --    0.40853   0.41301   0.42018   0.42449   0.43553
 Alpha virt. eigenvalues --    0.44162   0.45494   0.46919   0.47563   0.47643
 Alpha virt. eigenvalues --    0.48642   0.49598   0.50362   0.50589   0.51658
 Alpha virt. eigenvalues --    0.51854   0.52738   0.53491   0.54803   0.55311
 Alpha virt. eigenvalues --    0.56025   0.57091   0.57654   0.57995   0.59041
 Alpha virt. eigenvalues --    0.59366   0.60646   0.61429   0.61896   0.62153
 Alpha virt. eigenvalues --    0.63071   0.63422   0.64387   0.64646   0.64968
 Alpha virt. eigenvalues --    0.65941   0.66890   0.67638   0.68485   0.69393
 Alpha virt. eigenvalues --    0.69708   0.71136   0.71385   0.72093   0.72521
 Alpha virt. eigenvalues --    0.72816   0.73090   0.73293   0.74467   0.74947
 Alpha virt. eigenvalues --    0.76713   0.77472   0.78469   0.79447   0.80306
 Alpha virt. eigenvalues --    0.81667   0.82250   0.82927   0.83754   0.84488
 Alpha virt. eigenvalues --    0.84914   0.85652   0.85922   0.87999   0.88220
 Alpha virt. eigenvalues --    0.89672   0.90329   0.91878   0.92545   0.93246
 Alpha virt. eigenvalues --    0.94285   0.97305   0.98927   1.00007   1.00909
 Alpha virt. eigenvalues --    1.02774   1.04755   1.05676   1.07103   1.08870
 Alpha virt. eigenvalues --    1.09637   1.10834   1.13702   1.15027   1.18497
 Alpha virt. eigenvalues --    1.19327   1.20663   1.24350   1.27645   1.29500
 Alpha virt. eigenvalues --    1.31240   1.34087   1.35916   1.37837   1.38598
 Alpha virt. eigenvalues --    1.39612   1.40803   1.41395   1.42112   1.45046
 Alpha virt. eigenvalues --    1.46106   1.47227   1.47726   1.48385   1.49772
 Alpha virt. eigenvalues --    1.51554   1.52953   1.55522   1.56133   1.56978
 Alpha virt. eigenvalues --    1.58184   1.58769   1.59970   1.63432   1.64007
 Alpha virt. eigenvalues --    1.65753   1.66387   1.66908   1.67975   1.69613
 Alpha virt. eigenvalues --    1.71586   1.73460   1.74062   1.75049   1.76768
 Alpha virt. eigenvalues --    1.78245   1.78763   1.79445   1.80406   1.82146
 Alpha virt. eigenvalues --    1.82696   1.83789   1.85728   1.87231   1.89664
 Alpha virt. eigenvalues --    1.90713   1.92239   1.93715   1.95550   1.96847
 Alpha virt. eigenvalues --    1.98559   2.00553   2.01072   2.01947   2.02496
 Alpha virt. eigenvalues --    2.04995   2.07394   2.08990   2.09673   2.10400
 Alpha virt. eigenvalues --    2.13379   2.14736   2.15573   2.16440   2.17419
 Alpha virt. eigenvalues --    2.19184   2.19582   2.21393   2.22614   2.27178
 Alpha virt. eigenvalues --    2.28339   2.29862   2.32972   2.36776   2.40145
 Alpha virt. eigenvalues --    2.40846   2.47315   2.48422   2.50782   2.55759
 Alpha virt. eigenvalues --    2.57131   2.57862   2.59150   2.60873   2.63665
 Alpha virt. eigenvalues --    2.67198   2.70568   2.75200   2.76883   2.80942
 Alpha virt. eigenvalues --    2.82469   2.83928   2.89177   2.90358   2.93555
 Alpha virt. eigenvalues --    3.04161   3.09345   3.12779   3.15026   3.39180
 Alpha virt. eigenvalues --    3.43986   3.49247   3.52532   3.53891   3.61163
 Alpha virt. eigenvalues --    3.65844   3.72141   4.04032   4.56145
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.474673   0.027997   0.271032  -0.157313  -0.027346   0.127992
     2  C    0.027997  11.620245  -0.248772  -0.671525   0.777816   0.073075
     3  H    0.271032  -0.248772   0.708946   0.034870  -0.056701   0.044620
     4  H   -0.157313  -0.671525   0.034870   1.865883  -0.157734   0.237664
     5  C   -0.027346   0.777816  -0.056701  -0.157734   5.184714  -0.583846
     6  C    0.127992   0.073075   0.044620   0.237664  -0.583846  21.237925
     7  H    0.016326  -0.033729   0.008071   0.101405   0.297813  -0.177545
     8  H    0.032167   0.357873   0.003044  -0.105196   0.082929  -0.281129
     9  H   -0.032919   0.036604  -0.012652  -0.121606   0.271543   0.284353
    10  C   -0.054315  -2.723004   0.046631   0.129921  -0.272183  -9.549544
    11  C   -0.003199   0.235428   0.010679  -0.015736  -0.091724   3.340092
    12  C    0.001617  -0.196762  -0.003763   0.010070   0.005805  -4.727043
    13  C   -0.065927  -0.047313   0.009110   0.042978  -0.009948   2.416579
    14  C   -0.083032  -3.952857   0.059449   0.166857  -0.197649  -8.819560
    15  H   -0.003786   0.181639   0.006995   0.031456   0.060295   0.766315
    16  H    0.000219   0.001738   0.000129  -0.002708   0.017310  -0.408226
    17  H    0.000213  -0.014599   0.000142   0.001051   0.001121   0.099707
    18  H   -0.001185   0.000521  -0.000834   0.000682   0.002720  -0.440829
    19  H   -0.076150   0.096627   0.007084  -0.005204   0.027443   0.736553
               7          8          9         10         11         12
     1  O    0.016326   0.032167  -0.032919  -0.054315  -0.003199   0.001617
     2  C   -0.033729   0.357873   0.036604  -2.723004   0.235428  -0.196762
     3  H    0.008071   0.003044  -0.012652   0.046631   0.010679  -0.003763
     4  H    0.101405  -0.105196  -0.121606   0.129921  -0.015736   0.010070
     5  C    0.297813   0.082929   0.271543  -0.272183  -0.091724   0.005805
     6  C   -0.177545  -0.281129   0.284353  -9.549544   3.340092  -4.727043
     7  H    1.572819  -0.220809  -0.461770   0.076146   0.069916  -0.003070
     8  H   -0.220809   1.604649  -0.304554  -0.046413   0.042414  -0.011345
     9  H   -0.461770  -0.304554   1.719032  -0.098707  -0.036585   0.003776
    10  C    0.076146  -0.046413  -0.098707  25.201000  -7.884455   4.740168
    11  C    0.069916   0.042414  -0.036585  -7.884455  15.826163  -4.907837
    12  C   -0.003070  -0.011345   0.003776   4.740168  -4.907837  11.933922
    13  C    0.002610  -0.005142   0.001144  -5.464216   4.938476  -4.786344
    14  C   -0.073283  -0.020612   0.011103   2.440345  -4.811931   3.930772
    15  H   -0.076830  -0.073327   0.020289  -2.771374   0.751758  -0.219481
    16  H   -0.001487  -0.002428   0.001422   1.330111  -1.823485   0.612919
    17  H    0.000226  -0.000087   0.000022  -0.223154   0.629253  -1.347273
    18  H    0.000923  -0.000243   0.000045   0.236505  -0.393383   0.622278
    19  H    0.005154   0.003228   0.000852  -0.280373   0.159167  -0.262939
              13         14         15         16         17         18
     1  O   -0.065927  -0.083032  -0.003786   0.000219   0.000213  -0.001185
     2  C   -0.047313  -3.952857   0.181639   0.001738  -0.014599   0.000521
     3  H    0.009110   0.059449   0.006995   0.000129   0.000142  -0.000834
     4  H    0.042978   0.166857   0.031456  -0.002708   0.001051   0.000682
     5  C   -0.009948  -0.197649   0.060295   0.017310   0.001121   0.002720
     6  C    2.416579  -8.819560   0.766315  -0.408226   0.099707  -0.440829
     7  H    0.002610  -0.073283  -0.076830  -0.001487   0.000226   0.000923
     8  H   -0.005142  -0.020612  -0.073327  -0.002428  -0.000087  -0.000243
     9  H    0.001144   0.011103   0.020289   0.001422   0.000022   0.000045
    10  C   -5.464216   2.440345  -2.771374   1.330111  -0.223154   0.236505
    11  C    4.938476  -4.811931   0.751758  -1.823485   0.629253  -0.393383
    12  C   -4.786344   3.930772  -0.219481   0.612919  -1.347273   0.622278
    13  C   13.937688  -4.707462   0.186496  -0.424583   0.637682  -1.562416
    14  C   -4.707462  22.698065  -0.265821   0.220674  -0.193254   1.090961
    15  H    0.186496  -0.265821   3.777454  -0.206347  -0.025975   0.019482
    16  H   -0.424583   0.220674  -0.206347   2.522252  -0.137317  -0.031507
    17  H    0.637682  -0.193254  -0.025975  -0.137317   2.392450  -0.146559
    18  H   -1.562416   1.090961   0.019482  -0.031507  -0.146559   2.479201
    19  H    0.650175  -1.962358  -0.052578   0.016376  -0.022463  -0.205468
              19
     1  O   -0.076150
     2  C    0.096627
     3  H    0.007084
     4  H   -0.005204
     5  C    0.027443
     6  C    0.736553
     7  H    0.005154
     8  H    0.003228
     9  H    0.000852
    10  C   -0.280373
    11  C    0.159167
    12  C   -0.262939
    13  C    0.650175
    14  C   -1.962358
    15  H   -0.052578
    16  H    0.016376
    17  H   -0.022463
    18  H   -0.205468
    19  H    3.116728
 Mulliken charges:
               1
     1  O   -0.447064
     2  C    0.479000
     3  H    0.111919
     4  H   -0.385814
     5  C    0.667622
     6  C    1.622848
     7  H   -0.102885
     8  H   -0.055019
     9  H   -0.281392
    10  C    1.166911
    11  C   -0.035012
    12  C    0.604533
    13  C    0.250413
    14  C    0.469596
    15  H   -1.106660
    16  H   -0.685062
    17  H   -0.651185
    18  H   -0.670895
    19  H   -0.951854
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.335145
     2  C    0.093185
     5  C    0.228326
     6  C    1.622848
    10  C    0.060251
    11  C   -0.720074
    12  C   -0.046652
    13  C   -0.420482
    14  C   -0.482258
 Electronic spatial extent (au):  <R**2>=           1280.4662
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.7318    Y=              1.1960    Z=              0.3655  Tot=              1.4490
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.0439   YY=            -53.0743   ZZ=            -54.8457
   XY=              3.7895   XZ=             -0.4594   YZ=              0.2119
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0559   YY=              0.9137   ZZ=             -0.8577
   XY=              3.7895   XZ=             -0.4594   YZ=              0.2119
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.9704  YYY=             -0.2498  ZZZ=              5.8661  XYY=             -7.6014
  XXY=              7.8151  XXZ=              1.2268  XZZ=             15.0930  YZZ=             -4.9053
  YYZ=              0.6220  XYZ=             -1.9434
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1173.8237 YYYY=           -428.9401 ZZZZ=            -96.0230 XXXY=             17.0638
 XXXZ=            -11.6551 YYYX=             -0.2676 YYYZ=              1.1553 ZZZX=             11.5133
 ZZZY=             -8.1400 XXYY=           -279.2270 XXZZ=           -221.4667 YYZZ=            -91.9429
 XXYZ=              2.5433 YYXZ=             -0.2608 ZZXY=             -9.1010
 N-N= 4.252302688959D+02 E-N=-1.747306353911D+03  KE= 3.831391686301D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:49:51 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.94882136D-01 4.52113215D-01 1.66017669D-01
 Polarizability= 1.20304629D+02 1.44257949D+00 1.00119864D+02
                -3.12062470D+00 2.77414581D+00 6.39036978D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.3984    1.3983        0.7020    0.7014
 2     -1.3984   -1.3983       -1.3829   -1.3830      -11.3930  -11.3938
 3     -0.7020   -0.7014       30.1692   30.1691        1.3829    1.3830
 4      1.3829    1.3830        0.0000    0.0000       -0.7018   -0.7014
 5    -18.7762  -18.7753        0.7018    0.7014        1.3983    1.3983
 6     -1.3829   -1.3830       -1.3983   -1.3983       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1948   -4.1948        2.1042    2.1042
 2      4.1491    4.1491       -0.0000    0.0000        2.1042    2.1042
 3      4.1491    4.1491       -4.1948   -4.1948        0.0000    0.0000
 4     -4.1948   -4.1948       -4.1491   -4.1491      -34.1815  -34.1815
 5     -2.1042   -2.1042       90.5072   90.5072        4.1491    4.1491
 6    -56.3258  -56.3258        2.1042    2.1042        4.1948    4.1948
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0187    0.0000       -5.6098   -5.5930       -2.7858   -2.8056
 2      5.6059    5.5930        5.5092    5.5322       45.5464   45.5753
 3      2.8263    2.8056     -120.7014 -120.6763       -5.5234   -5.5322
 4     -5.5226   -5.5322        0.0075    0.0000        2.8172    2.8056
 5     75.1370   75.1010       -2.8427   -2.8056       -5.5533   -5.5930
 6      5.5266    5.5322        5.6215    5.5930       -0.0328    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0269    0.0000        4.9590    4.9361       -9.0884   -9.0872
 2     -4.9151   -4.9361       42.8623   42.8539       17.0035   17.0104
 3      9.1124    9.0872       10.4445   10.4044      -42.7738  -42.8539
 4    -42.8565  -42.8539        0.0073    0.0000        9.0795    9.0872
 5    -27.3851  -27.4147       -9.1160   -9.0872        4.9408    4.9361
 6     42.8743   42.8539       -4.9691   -4.9361        0.0757    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.1112   -7.1112      -10.5147  -10.4940        9.6618    9.6733
 2    -78.7946  -78.7428       -6.5304   -6.5165        9.6745    9.6733
 3    -78.8016  -78.7428      -10.5029  -10.4940       15.5244   15.4888
 4     -3.9815   -3.9775       71.6210   71.6316       22.6648   22.5997
 5      5.8181    5.8155       22.8144   22.8578      -71.5533  -71.6316
 6    -45.4566  -45.4575       -5.8367   -5.8155        3.9875    3.9775
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0020   -0.0006   -0.0002    0.0003    1.9050    4.5380
 Low frequencies ---   26.6731  145.4104  220.0769
 Diagonal vibrational polarizability:
       51.5011210       9.0039718      35.2628008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     26.6539               145.4100               220.0768
 Red. masses --      3.6345                 3.5574                 3.4762
 Frc consts  --      0.0015                 0.0443                 0.0992
 IR Inten    --      1.0683                 0.5434                 1.1219
 RamAct Fr= 1--      2.3168                 4.1204                 0.1171
  Dep-P Fr= 1--      0.7489                 0.7365                 0.4337
  Dep-U Fr= 1--      0.8564                 0.8483                 0.6050
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0008
 Beta2  Fr= 1--      0.3307                 0.5825                 0.0118
 AlphaG Fr= 1--     -0.0000                -0.0003                 0.0020
 Gamma2 Fr= 1--      0.8012                 0.3560                -0.1058
 Delta2 Fr= 1--      0.6113                 0.2841                -0.0292
 Raman1 Fr= 1--       9.267                 16.481                  0.469
 ROA1   Fr= 1--      96.481                 43.267                -11.092
 CID1   Fr= 1--      10.411                  2.625                -23.674
 Raman2 Fr= 1--       3.968                  6.990                  0.142
 ROA2   Fr= 1--      14.340                  6.271                 -2.306
 CID2   Fr= 1--       3.614                  0.897                -16.268
 Raman3 Fr= 1--       7.937                 13.981                  0.283
 ROA3   Fr= 1--      96.481                 43.267                -11.092
 CID3   Fr= 1--      12.157                  3.095                -39.131
 RC180  Fr= 1--       0.713                  0.697                  0.210
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.10   0.23     0.16  -0.02  -0.10    -0.17  -0.04  -0.01
     2   6    -0.00  -0.05   0.01    -0.02  -0.01   0.04    -0.02   0.04   0.00
     3   1    -0.08   0.24   0.18     0.43   0.00  -0.02    -0.14   0.00  -0.00
     4   1    -0.00  -0.25   0.08    -0.20   0.02  -0.01    -0.12  -0.00  -0.00
     5   6     0.01  -0.01  -0.24    -0.01   0.01  -0.10     0.23  -0.10  -0.07
     6   6     0.00  -0.02  -0.01    -0.01  -0.03   0.22    -0.00   0.15   0.05
     7   1     0.06   0.16  -0.29     0.19  -0.00  -0.06     0.48  -0.12  -0.02
     8   1    -0.03  -0.13  -0.35    -0.18   0.01  -0.04     0.23  -0.03   0.01
     9   1     0.00  -0.02  -0.25    -0.02   0.04  -0.33     0.18  -0.27  -0.28
    10   6     0.03  -0.03   0.14    -0.01  -0.02   0.18    -0.09   0.11   0.05
    11   6     0.03  -0.02   0.15    -0.03   0.02  -0.04    -0.12  -0.04  -0.00
    12   6     0.01   0.00   0.00    -0.06   0.05  -0.21    -0.02  -0.10  -0.04
    13   6    -0.02   0.01  -0.15    -0.05   0.02  -0.06     0.10  -0.05  -0.00
    14   6    -0.02   0.00  -0.16    -0.03  -0.02   0.17     0.10   0.09   0.05
    15   1     0.05  -0.05   0.25     0.01  -0.04   0.26    -0.16   0.16   0.07
    16   1     0.05  -0.03   0.27    -0.02   0.03  -0.12    -0.22  -0.09  -0.02
    17   1     0.01   0.01   0.00    -0.08   0.08  -0.45    -0.02  -0.19  -0.09
    18   1    -0.04   0.03  -0.27    -0.07   0.04  -0.15     0.19  -0.11  -0.02
    19   1    -0.04   0.01  -0.27    -0.03  -0.03   0.23     0.20   0.14   0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.2021               290.0679               343.3586
 Red. masses --      1.1310                 1.0536                 3.7616
 Frc consts  --      0.0512                 0.0522                 0.2613
 IR Inten    --     61.2226                45.2618                19.5794
 RamAct Fr= 1--      0.3444                 0.1505                 2.8934
  Dep-P Fr= 1--      0.7405                 0.6727                 0.1124
  Dep-U Fr= 1--      0.8509                 0.8043                 0.2020
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0491
 Beta2  Fr= 1--      0.0488                 0.0202                 0.0974
 AlphaG Fr= 1--      0.0010                -0.0034                -0.0199
 Gamma2 Fr= 1--      0.2501                 0.1301                 0.0014
 Delta2 Fr= 1--      0.1280                 0.0911                -0.0083
 Raman1 Fr= 1--       1.377                  0.602                 11.574
 ROA1   Fr= 1--      28.110                 15.402                 -0.134
 CID1   Fr= 1--      20.407                 25.587                 -0.012
 Raman2 Fr= 1--       0.586                  0.242                  1.169
 ROA2   Fr= 1--       4.980                  2.392                  0.100
 CID2   Fr= 1--       8.497                  9.883                  0.085
 Raman3 Fr= 1--       1.172                  0.484                  2.338
 ROA3   Fr= 1--      28.110                 15.402                 -0.134
 CID3   Fr= 1--      23.983                 31.812                 -0.057
 RC180  Fr= 1--       0.702                  0.609                 -0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.00   0.02    -0.01  -0.03  -0.03     0.26   0.08   0.01
     2   6     0.00  -0.01   0.01    -0.00  -0.00   0.00     0.05   0.02   0.04
     3   1     0.65   0.42   0.15     0.51   0.27   0.09    -0.25  -0.32  -0.08
     4   1     0.02  -0.03   0.02    -0.01  -0.00   0.01     0.01   0.04   0.03
     5   6     0.02  -0.03   0.03     0.01  -0.01   0.00     0.22  -0.06   0.03
     6   6    -0.01   0.00  -0.03    -0.01   0.02   0.01    -0.03  -0.02   0.02
     7   1     0.25  -0.25   0.15    -0.33   0.26  -0.16     0.24   0.03  -0.00
     8   1    -0.19   0.11   0.27     0.34  -0.16  -0.29     0.47  -0.03  -0.04
     9   1     0.00   0.04  -0.28     0.03  -0.14   0.45     0.18  -0.33   0.13
    10   6    -0.02   0.00  -0.05    -0.02   0.01   0.01    -0.10  -0.03  -0.07
    11   6    -0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.11  -0.01  -0.03
    12   6    -0.01  -0.00   0.04    -0.01  -0.01   0.00    -0.14  -0.00   0.09
    13   6    -0.02   0.01  -0.01     0.00  -0.00  -0.01    -0.13   0.02  -0.01
    14   6    -0.02   0.01  -0.04     0.00   0.01   0.00    -0.11   0.02  -0.08
    15   1    -0.02   0.01  -0.06    -0.02   0.02  -0.00    -0.11  -0.01  -0.12
    16   1    -0.01   0.00   0.01    -0.03  -0.01   0.02    -0.08   0.01  -0.06
    17   1    -0.01  -0.01   0.09    -0.01  -0.02   0.00    -0.13  -0.00   0.20
    18   1    -0.02   0.00   0.00     0.01  -0.01  -0.02    -0.11   0.01  -0.04
    19   1    -0.02   0.00  -0.04     0.02   0.02   0.01    -0.18  -0.00  -0.16
                      7                      8                      9
                      A                      A                      A
 Frequencies --    396.8326               413.9251               473.9878
 Red. masses --      3.0517                 2.9294                 3.6112
 Frc consts  --      0.2831                 0.2957                 0.4780
 IR Inten    --      1.1056                 0.0975                10.5469
 RamAct Fr= 1--      0.5674                 0.0403                 1.1831
  Dep-P Fr= 1--      0.6949                 0.2670                 0.6092
  Dep-U Fr= 1--      0.8200                 0.4215                 0.7572
 Alpha2 Fr= 1--      0.0005                 0.0005                 0.0031
 Beta2  Fr= 1--      0.0775                 0.0028                 0.1493
 AlphaG Fr= 1--      0.0034                 0.0045                 0.0024
 Gamma2 Fr= 1--     -0.6221                 0.2704                 0.2734
 Delta2 Fr= 1--     -0.1059                 0.0439                 0.1904
 Raman1 Fr= 1--       2.270                  0.161                  4.732
 ROA1   Fr= 1--     -63.111                 27.361                 32.340
 CID1   Fr= 1--     -27.805                169.898                  6.834
 Raman2 Fr= 1--       0.931                  0.034                  1.792
 ROA2   Fr= 1--     -14.084                  6.139                  5.038
 CID2   Fr= 1--     -15.134                180.885                  2.812
 Raman3 Fr= 1--       1.861                  0.068                  3.583
 ROA3   Fr= 1--     -63.111                 27.361                 32.340
 CID3   Fr= 1--     -33.910                403.119                  9.025
 RC180  Fr= 1--       0.640                 -0.157                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08   0.18  -0.01    -0.01   0.02  -0.00     0.17   0.03   0.06
     2   6    -0.02   0.08  -0.15    -0.01   0.01  -0.01     0.03  -0.15  -0.14
     3   1    -0.07   0.38  -0.04     0.06   0.08   0.01    -0.12   0.01  -0.02
     4   1     0.07   0.07  -0.13    -0.01   0.00  -0.01     0.05  -0.27  -0.09
     5   6     0.12  -0.03   0.06     0.00  -0.01   0.01    -0.13  -0.18   0.02
     6   6    -0.02  -0.08  -0.12    -0.00  -0.00  -0.02     0.01   0.11  -0.14
     7   1     0.08  -0.20   0.12    -0.01  -0.02   0.01    -0.38  -0.42   0.07
     8   1     0.38   0.17   0.18     0.04   0.01   0.01    -0.12  -0.08   0.14
     9   1     0.08  -0.25   0.16     0.00  -0.04   0.04    -0.08  -0.02   0.20
    10   6     0.04  -0.10   0.05     0.03  -0.03   0.21    -0.05   0.10   0.03
    11   6     0.05  -0.03   0.08    -0.01   0.02  -0.19    -0.07   0.00   0.08
    12   6    -0.02   0.03  -0.12     0.00   0.00  -0.02    -0.05  -0.01  -0.10
    13   6    -0.05  -0.02   0.05     0.02  -0.03   0.22     0.05   0.02   0.06
    14   6    -0.04  -0.10   0.10    -0.02   0.01  -0.20     0.05   0.12   0.04
    15   1     0.10  -0.14   0.12     0.06  -0.06   0.47    -0.13   0.15   0.14
    16   1     0.11  -0.02   0.19    -0.03   0.05  -0.42    -0.12  -0.04   0.20
    17   1    -0.03   0.10  -0.26     0.00   0.01  -0.05    -0.06  -0.07  -0.21
    18   1    -0.09   0.00   0.12     0.04  -0.05   0.47     0.14  -0.04   0.16
    19   1    -0.08  -0.14   0.25    -0.04   0.04  -0.41     0.10   0.13   0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    499.0162               612.8037               638.1278
 Red. masses --      3.4016                 3.0190                 6.3136
 Frc consts  --      0.4991                 0.6680                 1.5147
 IR Inten    --     11.6171                18.1886                 0.3886
 RamAct Fr= 1--      4.1365                 1.0117                 4.5056
  Dep-P Fr= 1--      0.1686                 0.7461                 0.7500
  Dep-U Fr= 1--      0.2885                 0.8546                 0.8571
 Alpha2 Fr= 1--      0.0610                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1989                 0.1441                 0.6436
 AlphaG Fr= 1--      0.0319                 0.0005                 0.0001
 Gamma2 Fr= 1--     -0.4151                -0.3991                -0.0367
 Delta2 Fr= 1--     -0.1416                 0.0064                -0.0038
 Raman1 Fr= 1--      16.546                  4.047                 18.022
 ROA1   Fr= 1--     -44.382                -38.111                 -3.646
 CID1   Fr= 1--      -2.682                 -9.417                 -0.202
 Raman2 Fr= 1--       2.387                  1.729                  7.724
 ROA2   Fr= 1--      -8.830                 -9.630                 -0.850
 CID2   Fr= 1--      -3.700                 -5.569                 -0.110
 Raman3 Fr= 1--       4.773                  3.458                 15.447
 ROA3   Fr= 1--     -44.382                -38.111                 -3.646
 CID3   Fr= 1--      -9.298                -11.020                 -0.236
 RC180  Fr= 1--      -0.423                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.03  -0.16   0.02     0.07  -0.02  -0.01    -0.01  -0.01   0.01
     2   6     0.20  -0.00   0.04    -0.14   0.05   0.17     0.02  -0.00  -0.03
     3   1     0.08  -0.10   0.05     0.15  -0.28   0.06    -0.04   0.03  -0.01
     4   1     0.37   0.03   0.07    -0.10   0.11   0.16     0.03  -0.02  -0.02
     5   6     0.09   0.17  -0.02    -0.01  -0.01   0.01     0.00  -0.02  -0.01
     6   6     0.07   0.00  -0.18    -0.14   0.01  -0.11     0.01  -0.14  -0.00
     7   1     0.09   0.30  -0.07     0.27   0.23  -0.04    -0.03  -0.05  -0.00
     8   1    -0.18  -0.01  -0.12     0.05  -0.11  -0.12     0.01  -0.01   0.01
     9   1     0.13   0.43  -0.12    -0.07  -0.26  -0.16     0.01  -0.01   0.02
    10   6    -0.04  -0.07   0.00    -0.03   0.07  -0.08    -0.24  -0.21   0.02
    11   6    -0.05  -0.05   0.08     0.02   0.08   0.11    -0.24   0.24   0.03
    12   6    -0.15   0.02  -0.10     0.12   0.02  -0.14    -0.01   0.14   0.04
    13   6    -0.05   0.05   0.09     0.03  -0.07   0.08     0.26   0.23  -0.01
    14   6    -0.03   0.05   0.01    -0.00  -0.09  -0.09     0.22  -0.21  -0.03
    15   1    -0.10  -0.03   0.18     0.11  -0.02   0.12    -0.11  -0.29  -0.04
    16   1     0.04  -0.03   0.24    -0.04   0.00   0.42    -0.09   0.33  -0.03
    17   1    -0.16   0.03  -0.15     0.12  -0.01  -0.07    -0.03  -0.28  -0.03
    18   1     0.02  -0.01   0.26    -0.04  -0.04   0.39     0.13   0.32  -0.05
    19   1    -0.11  -0.02   0.19     0.11  -0.06   0.13     0.07  -0.29  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.5879               750.8529               792.4071
 Red. masses --      1.7856                 3.0320                 2.0928
 Frc consts  --      0.5342                 1.0071                 0.7742
 IR Inten    --     41.6492                22.1313                 9.8022
 RamAct Fr= 1--      0.0553                11.2255                 5.4634
  Dep-P Fr= 1--      0.6465                 0.0775                 0.2256
  Dep-U Fr= 1--      0.7853                 0.1439                 0.3681
 Alpha2 Fr= 1--      0.0001                 0.2076                 0.0693
 Beta2  Fr= 1--      0.0072                 0.2692                 0.3352
 AlphaG Fr= 1--      0.0004                 0.0327                -0.0050
 Gamma2 Fr= 1--     -0.0365                -0.3822                -0.7781
 Delta2 Fr= 1--      0.0015                -0.0961                -0.0754
 Raman1 Fr= 1--       0.221                 44.902                 21.854
 ROA1   Fr= 1--      -3.457                -39.770                -77.113
 CID1   Fr= 1--     -15.623                 -0.886                 -3.529
 Raman2 Fr= 1--       0.087                  3.231                  4.023
 ROA2   Fr= 1--      -0.889                 -8.404                -18.072
 CID2   Fr= 1--     -10.227                 -2.601                 -4.493
 Raman3 Fr= 1--       0.174                  6.462                  8.045
 ROA3   Fr= 1--      -3.457                -39.770                -77.113
 CID3   Fr= 1--     -19.894                 -6.155                 -9.585
 RC180  Fr= 1--       0.571                 -0.712                 -0.264
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.07   0.04    -0.01  -0.02   0.02
     2   6    -0.00  -0.00   0.00     0.08  -0.03  -0.08     0.07  -0.04  -0.09
     3   1    -0.00  -0.03  -0.00    -0.02   0.04   0.01    -0.10   0.14  -0.03
     4   1     0.04   0.01   0.01     0.17  -0.10  -0.04    -0.08  -0.11  -0.09
     5   6    -0.00  -0.00  -0.00     0.07   0.08  -0.00     0.05   0.05  -0.02
     6   6    -0.02   0.01  -0.10    -0.11   0.02  -0.09    -0.00  -0.02   0.20
     7   1     0.02   0.02  -0.00    -0.06  -0.02   0.01    -0.19  -0.16   0.02
     8   1    -0.00  -0.01  -0.01     0.01   0.12   0.06     0.02   0.15   0.11
     9   1    -0.00  -0.01  -0.00     0.11   0.25   0.07     0.11   0.26   0.15
    10   6     0.00   0.01   0.08    -0.04   0.13   0.09    -0.03   0.05  -0.06
    11   6    -0.02   0.03  -0.14    -0.05   0.15   0.02    -0.03   0.06   0.01
    12   6     0.02  -0.01   0.07     0.15  -0.02   0.07     0.04   0.01  -0.12
    13   6    -0.02   0.00  -0.14    -0.07  -0.14  -0.02    -0.03  -0.06   0.00
    14   6     0.00  -0.02   0.07    -0.05  -0.13   0.06    -0.03  -0.04  -0.07
    15   1     0.06  -0.05   0.51     0.03   0.10  -0.14     0.00   0.03   0.00
    16   1    -0.00  -0.02   0.22    -0.29   0.10  -0.40    -0.05  -0.02   0.46
    17   1     0.07  -0.07   0.56     0.10   0.03  -0.38     0.09  -0.06   0.48
    18   1     0.00  -0.03   0.20    -0.27   0.01  -0.38    -0.06  -0.06   0.42
    19   1     0.06  -0.05   0.49     0.04  -0.06  -0.10    -0.00  -0.03  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    860.7018               902.9343               932.1247
 Red. masses --      1.2471                 2.4014                 1.3999
 Frc consts  --      0.5443                 1.1535                 0.7166
 IR Inten    --      0.1088                15.6494                 2.4269
 RamAct Fr= 1--      1.2286                 1.5082                 0.5072
  Dep-P Fr= 1--      0.7486                 0.6639                 0.7044
  Dep-U Fr= 1--      0.8562                 0.7980                 0.8266
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0004
 Beta2  Fr= 1--      0.1753                 0.2006                 0.0699
 AlphaG Fr= 1--     -0.0001                -0.0019                 0.0005
 Gamma2 Fr= 1--     -0.1602                 1.3253                 1.0526
 Delta2 Fr= 1--     -0.1347                 1.0752                -0.1245
 Raman1 Fr= 1--       4.914                  6.033                  2.029
 ROA1   Fr= 1--     -19.695                161.640                 97.061
 CID1   Fr= 1--      -4.008                 26.794                 47.846
 Raman2 Fr= 1--       2.104                  2.407                  0.838
 ROA2   Fr= 1--      -2.768                 23.206                 26.258
 CID2   Fr= 1--      -1.316                  9.641                 31.320
 Raman3 Fr= 1--       4.208                  4.814                  1.677
 ROA3   Fr= 1--     -19.695                161.640                 97.061
 CID3   Fr= 1--      -4.681                 33.577                 57.886
 RC180  Fr= 1--       0.712                  0.596                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.06   0.15  -0.10     0.01  -0.01   0.01
     2   6    -0.00   0.00  -0.00     0.16  -0.03   0.09    -0.01   0.01  -0.00
     3   1    -0.01  -0.01  -0.00    -0.05   0.09  -0.09     0.03  -0.02   0.02
     4   1    -0.00   0.00   0.00     0.23   0.18   0.03     0.10   0.04   0.01
     5   6    -0.00  -0.00   0.00     0.00  -0.17   0.06    -0.02   0.00   0.01
     6   6     0.00  -0.00   0.00     0.04  -0.00   0.01    -0.01   0.01  -0.07
     7   1     0.00   0.00  -0.00    -0.04   0.20  -0.09     0.09   0.07   0.00
     8   1     0.00   0.00   0.00    -0.47  -0.59  -0.24     0.03  -0.02  -0.03
     9   1    -0.00  -0.00  -0.01     0.06   0.22  -0.13    -0.05  -0.10  -0.07
    10   6     0.01  -0.01   0.07    -0.01   0.03   0.01     0.01  -0.01   0.11
    11   6     0.01  -0.01   0.07    -0.03   0.05   0.01    -0.00   0.00  -0.02
    12   6    -0.00   0.00  -0.01     0.02   0.00  -0.01    -0.01   0.01  -0.10
    13   6    -0.01   0.01  -0.08    -0.05  -0.05   0.00     0.01   0.00   0.02
    14   6    -0.01   0.01  -0.07    -0.01  -0.04  -0.00     0.01  -0.00   0.08
    15   1    -0.05   0.06  -0.50    -0.03   0.05  -0.03    -0.05   0.07  -0.58
    16   1    -0.04   0.05  -0.47    -0.08   0.03   0.01     0.01  -0.02   0.11
    17   1     0.00  -0.00   0.05     0.03   0.01   0.05     0.06  -0.07   0.59
    18   1     0.05  -0.06   0.52    -0.11  -0.01   0.02    -0.00   0.02  -0.14
    19   1     0.05  -0.04   0.45    -0.03  -0.04  -0.03    -0.05   0.05  -0.43
                     19                     20                     21
                      A                      A                      A
 Frequencies --    969.7824               983.3983              1023.4296
 Red. masses --      1.3342                 1.2569                 2.5037
 Frc consts  --      0.7393                 0.7162                 1.5450
 IR Inten    --      0.0462                 0.3964                21.0657
 RamAct Fr= 1--      0.0303                 0.0207                44.1380
  Dep-P Fr= 1--      0.5184                 0.4154                 0.0698
  Dep-U Fr= 1--      0.6828                 0.5870                 0.1305
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.8315
 Beta2  Fr= 1--      0.0034                 0.0020                 0.9599
 AlphaG Fr= 1--     -0.0022                 0.0008                 0.1973
 Gamma2 Fr= 1--     -0.1053                -0.1307                -2.0247
 Delta2 Fr= 1--      0.0362                 0.0682                -0.6611
 Raman1 Fr= 1--       0.121                  0.083                176.552
 ROA1   Fr= 1--      -8.954                -10.369               -215.524
 CID1   Fr= 1--     -73.915               -125.470                 -1.221
 Raman2 Fr= 1--       0.041                  0.024                 11.519
 ROA2   Fr= 1--      -2.818                 -3.683                -43.303
 CID2   Fr= 1--     -68.141               -151.837                 -3.759
 Raman3 Fr= 1--       0.083                  0.049                 23.038
 ROA3   Fr= 1--      -8.954                -10.369               -215.524
 CID3   Fr= 1--    -108.248               -213.741                 -9.355
 RC180  Fr= 1--       0.366                  0.174                 -0.739
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.02   0.07  -0.05
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.09   0.10
     3   1    -0.01   0.00  -0.00     0.01   0.01   0.00     0.12  -0.26   0.04
     4   1    -0.01   0.00  -0.00     0.03   0.01  -0.00    -0.30  -0.31   0.11
     5   6     0.00  -0.00   0.00    -0.01  -0.00   0.01     0.11   0.02  -0.04
     6   6     0.00  -0.00   0.01     0.00  -0.00  -0.01    -0.06   0.01  -0.05
     7   1    -0.01   0.00  -0.00     0.03   0.03   0.00    -0.29  -0.19  -0.02
     8   1    -0.01  -0.01  -0.00     0.00  -0.01  -0.01    -0.12   0.09   0.14
     9   1     0.00   0.01  -0.01    -0.01  -0.03  -0.02     0.23   0.46   0.22
    10   6     0.01  -0.01   0.08     0.00   0.00   0.01    -0.09  -0.15   0.02
    11   6    -0.01   0.01  -0.11    -0.00   0.00  -0.03     0.02  -0.04  -0.01
    12   6     0.00  -0.00   0.05     0.01  -0.01   0.06     0.16  -0.01  -0.02
    13   6     0.00  -0.01   0.04    -0.01   0.01  -0.10     0.02   0.04  -0.00
    14   6    -0.01   0.01  -0.08     0.01  -0.01   0.08    -0.07   0.13   0.04
    15   1    -0.05   0.05  -0.48    -0.01   0.02  -0.11    -0.08  -0.15  -0.11
    16   1     0.07  -0.07   0.64     0.02  -0.03   0.27     0.03  -0.04  -0.00
    17   1    -0.03   0.04  -0.34    -0.04   0.04  -0.42     0.17  -0.01   0.01
    18   1    -0.02   0.02  -0.18     0.06  -0.07   0.64     0.02   0.05   0.01
    19   1     0.05  -0.04   0.39    -0.07   0.05  -0.53    -0.09   0.15  -0.06
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.8371              1055.5359              1080.2475
 Red. masses --      2.9917                 2.2297                 2.4730
 Frc consts  --      1.8585                 1.4637                 1.7003
 IR Inten    --     10.5173                17.2428                30.4845
 RamAct Fr= 1--     13.4486                21.6845                 3.3626
  Dep-P Fr= 1--      0.0448                 0.0350                 0.5584
  Dep-U Fr= 1--      0.0858                 0.0677                 0.7167
 Alpha2 Fr= 1--      0.2690                 0.4438                 0.0122
 Beta2  Fr= 1--      0.1923                 0.2445                 0.4016
 AlphaG Fr= 1--     -0.0503                -0.0417                -0.0190
 Gamma2 Fr= 1--      1.0748                 0.6580                 0.0338
 Delta2 Fr= 1--      0.6254                 0.4317                -0.3189
 Raman1 Fr= 1--      53.795                 86.738                 13.450
 ROA1   Fr= 1--     123.193                 76.985                 -6.958
 CID1   Fr= 1--       2.290                  0.888                 -0.517
 Raman2 Fr= 1--       2.307                  2.935                  4.820
 ROA2   Fr= 1--      20.792                 12.338                  3.363
 CID2   Fr= 1--       9.012                  4.205                  0.698
 Raman3 Fr= 1--       4.614                  5.869                  9.640
 ROA3   Fr= 1--     123.193                 76.985                 -6.958
 CID3   Fr= 1--      26.699                 13.117                 -0.722
 RC180  Fr= 1--      -0.828                 -0.865                  0.433
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.05   0.03     0.02  -0.03   0.02     0.03  -0.07   0.05
     2   6     0.05   0.05  -0.09    -0.00   0.01  -0.06     0.01   0.24  -0.01
     3   1    -0.11   0.23  -0.05    -0.10   0.19  -0.05     0.03  -0.06   0.06
     4   1     0.29   0.25  -0.10     0.04   0.13  -0.08    -0.11   0.18  -0.01
     5   6    -0.09  -0.00   0.04     0.01  -0.01   0.04     0.01  -0.11  -0.06
     6   6     0.06  -0.02   0.05    -0.04  -0.01   0.02     0.01   0.08  -0.01
     7   1     0.29   0.21   0.02     0.09   0.18  -0.01    -0.32  -0.26  -0.06
     8   1     0.12  -0.08  -0.13    -0.07  -0.14  -0.08    -0.20  -0.10   0.03
     9   1    -0.20  -0.42  -0.20    -0.00   0.01  -0.08     0.06   0.13   0.08
    10   6    -0.11  -0.17  -0.03    -0.04   0.07   0.01    -0.10  -0.07   0.00
    11   6    -0.03   0.08   0.01     0.02  -0.18  -0.02     0.05  -0.06  -0.01
    12   6     0.19  -0.02  -0.02     0.13  -0.02  -0.01     0.03   0.08   0.01
    13   6    -0.04  -0.07  -0.00     0.04   0.19   0.02    -0.06  -0.05  -0.00
    14   6    -0.09   0.21   0.01    -0.05  -0.05  -0.01     0.06  -0.06  -0.00
    15   1    -0.04  -0.22   0.07    -0.28   0.21   0.08    -0.33   0.07   0.04
    16   1    -0.03   0.08   0.01    -0.30  -0.36  -0.01     0.23   0.02  -0.02
    17   1     0.19  -0.04  -0.05     0.14  -0.05  -0.02     0.05   0.48   0.05
    18   1     0.00  -0.09  -0.01    -0.24   0.39   0.05    -0.26   0.07   0.04
    19   1    -0.05   0.22   0.11    -0.34  -0.20   0.05     0.29   0.06  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1087.6397              1130.7087              1185.6749
 Red. masses --      1.7013                 1.8254                 1.1184
 Frc consts  --      1.1858                 1.3750                 0.9264
 IR Inten    --     31.8936                 7.0848                 0.0607
 RamAct Fr= 1--      1.5152                 0.6482                 3.9204
  Dep-P Fr= 1--      0.2197                 0.7412                 0.7365
  Dep-U Fr= 1--      0.3603                 0.8514                 0.8483
 Alpha2 Fr= 1--      0.0195                 0.0001                 0.0009
 Beta2  Fr= 1--      0.0910                 0.0920                 0.5543
 AlphaG Fr= 1--     -0.0306                -0.0011                -0.0037
 Gamma2 Fr= 1--      0.2404                 0.4035                -0.0412
 Delta2 Fr= 1--      0.2435                 0.0882                -0.1591
 Raman1 Fr= 1--       6.061                  2.593                 15.682
 ROA1   Fr= 1--      30.871                 41.561                 -9.045
 CID1   Fr= 1--       5.093                 16.029                 -0.577
 Raman2 Fr= 1--       1.092                  1.104                  6.651
 ROA2   Fr= 1--       3.822                  8.980                  0.284
 CID2   Fr= 1--       3.501                  8.135                  0.043
 Raman3 Fr= 1--       2.184                  2.208                 13.303
 ROA3   Fr= 1--      30.871                 41.561                 -9.045
 CID3   Fr= 1--      14.137                 18.827                 -0.680
 RC180  Fr= 1--      -0.279                  0.703                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.03   0.03     0.01  -0.04   0.04     0.00   0.00  -0.00
     2   6    -0.10  -0.03  -0.10    -0.01   0.18  -0.00    -0.01  -0.01  -0.00
     3   1    -0.18   0.33  -0.09     0.03  -0.03   0.04    -0.01   0.01  -0.00
     4   1    -0.23   0.13  -0.17    -0.09   0.18  -0.02    -0.04  -0.01  -0.01
     5   6     0.09  -0.00   0.10     0.02  -0.08  -0.04     0.00   0.00   0.01
     6   6    -0.11   0.00   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.00
     7   1     0.06   0.39  -0.05    -0.26  -0.18  -0.05     0.01   0.02   0.00
     8   1    -0.26  -0.31  -0.13    -0.18  -0.09   0.02    -0.00  -0.01  -0.01
     9   1     0.14   0.36  -0.10     0.08   0.18   0.06     0.00   0.01  -0.01
    10   6     0.00  -0.03  -0.01     0.09   0.00  -0.01     0.01  -0.01  -0.00
    11   6     0.04   0.00  -0.00    -0.04   0.05   0.01    -0.04  -0.02   0.00
    12   6    -0.05   0.01   0.01    -0.00  -0.06  -0.01     0.01   0.07   0.01
    13   6     0.03  -0.01  -0.01     0.04   0.03   0.00     0.04  -0.03  -0.01
    14   6     0.02   0.03   0.00    -0.09   0.02   0.01    -0.01  -0.01  -0.00
    15   1     0.13  -0.11  -0.01     0.38  -0.17  -0.06     0.10  -0.07  -0.02
    16   1     0.22   0.09  -0.02    -0.17  -0.01   0.01    -0.42  -0.21   0.02
    17   1    -0.05   0.03   0.01    -0.03  -0.46  -0.05     0.04   0.66   0.07
    18   1     0.18  -0.11  -0.03     0.22  -0.08  -0.04     0.42  -0.27  -0.07
    19   1     0.20   0.13  -0.02    -0.44  -0.15   0.02    -0.21  -0.11   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1209.9564              1224.4277              1266.8272
 Red. masses --      1.1444                 2.1628                 1.4704
 Frc consts  --      0.9872                 1.9105                 1.3904
 IR Inten    --      2.2186                 9.1259                11.3267
 RamAct Fr= 1--      5.9814                16.9196                 7.6592
  Dep-P Fr= 1--      0.3765                 0.0825                 0.1383
  Dep-U Fr= 1--      0.5470                 0.1525                 0.2430
 Alpha2 Fr= 1--      0.0481                 0.3091                 0.1220
 Beta2  Fr= 1--      0.5453                 0.4300                 0.3101
 AlphaG Fr= 1--      0.0025                -0.0039                 0.1378
 Gamma2 Fr= 1--      0.3089                 0.6405                -0.8484
 Delta2 Fr= 1--      0.0779                -0.0267                -0.1272
 Raman1 Fr= 1--      23.925                 67.678                 30.637
 ROA1   Fr= 1--      32.150                 60.637                -85.516
 CID1   Fr= 1--       1.344                  0.896                 -2.791
 Raman2 Fr= 1--       6.543                  5.160                  3.722
 ROA2   Fr= 1--       6.791                 15.586                -19.344
 CID2   Fr= 1--       1.038                  3.020                 -5.198
 Raman3 Fr= 1--      13.087                 10.320                  7.444
 ROA3   Fr= 1--      32.150                 60.637                -85.516
 CID3   Fr= 1--       2.457                  5.875                -11.489
 RC180  Fr= 1--       0.094                 -0.695                 -0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.02  -0.01   0.01     0.02  -0.03  -0.02
     2   6     0.02   0.01  -0.00    -0.11  -0.03   0.02     0.09  -0.04   0.13
     3   1     0.02  -0.04   0.01    -0.10   0.19  -0.06    -0.34   0.62  -0.23
     4   1     0.09   0.01   0.01    -0.69  -0.02  -0.10    -0.33   0.41  -0.09
     5   6    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.03   0.01  -0.07
     6   6    -0.04  -0.01   0.01     0.24   0.04  -0.07    -0.06  -0.00  -0.04
     7   1    -0.01  -0.03   0.00     0.02   0.16  -0.01    -0.01  -0.19   0.02
     8   1     0.01   0.00  -0.00    -0.05  -0.04  -0.00     0.10   0.16   0.07
     9   1     0.00   0.02   0.00     0.02   0.07  -0.02    -0.02  -0.08   0.14
    10   6     0.05  -0.03  -0.01     0.06  -0.03  -0.00    -0.01   0.01   0.01
    11   6    -0.04  -0.03   0.00    -0.08   0.04   0.02     0.02  -0.01  -0.00
    12   6    -0.01   0.00   0.00     0.02   0.01  -0.00    -0.00  -0.01  -0.00
    13   6    -0.03   0.03   0.01    -0.07  -0.06   0.00     0.01   0.01   0.00
    14   6     0.04   0.03  -0.00     0.04  -0.01   0.00    -0.00   0.00   0.01
    15   1     0.46  -0.29  -0.08    -0.10   0.07  -0.00     0.05  -0.03  -0.05
    16   1    -0.45  -0.24   0.02    -0.27  -0.05   0.01     0.03  -0.00  -0.01
    17   1    -0.01   0.05   0.01     0.01  -0.07  -0.01    -0.00   0.02   0.00
    18   1    -0.31   0.22   0.06    -0.42   0.16   0.05     0.06  -0.02  -0.01
    19   1     0.46   0.25  -0.03    -0.11  -0.09  -0.02     0.04   0.03  -0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1325.7470              1356.6881              1373.5091
 Red. masses --      2.9171                 1.9555                 1.3740
 Frc consts  --      3.0208                 2.1206                 1.5272
 IR Inten    --      7.1212                 6.3985                15.6727
 RamAct Fr= 1--      4.3987                 0.4464                 3.8029
  Dep-P Fr= 1--      0.0828                 0.7313                 0.4137
  Dep-U Fr= 1--      0.1530                 0.8448                 0.5853
 Alpha2 Fr= 1--      0.0803                 0.0001                 0.0268
 Beta2  Fr= 1--      0.1121                 0.0629                 0.3709
 AlphaG Fr= 1--     -0.0479                -0.0035                -0.0053
 Gamma2 Fr= 1--      0.6023                 1.0318                -2.0805
 Delta2 Fr= 1--     -0.0658                -0.6347                -0.1165
 Raman1 Fr= 1--      17.595                  1.786                 15.212
 ROA1   Fr= 1--      55.715                 78.742               -203.456
 CID1   Fr= 1--       3.167                 44.099                -13.375
 Raman2 Fr= 1--       1.346                  0.754                  4.451
 ROA2   Fr= 1--      14.981                 29.841                -49.000
 CID2   Fr= 1--      11.134                 39.564                -11.008
 Raman3 Fr= 1--       2.691                  1.508                  8.903
 ROA3   Fr= 1--      55.715                 78.742               -203.456
 CID3   Fr= 1--      20.703                 52.200                -22.853
 RC180  Fr= 1--      -0.694                  0.690                  0.171
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
     2   6     0.13  -0.00  -0.02    -0.07  -0.03   0.02    -0.11  -0.06   0.02
     3   1     0.01  -0.03  -0.00    -0.05   0.08  -0.03    -0.06   0.11  -0.04
     4   1    -0.32  -0.38   0.01     0.40   0.29   0.01     0.57   0.34   0.03
     5   6    -0.07   0.01   0.04     0.03   0.00  -0.03     0.02  -0.03  -0.04
     6   6    -0.06   0.26   0.03     0.02   0.02   0.01     0.03   0.07   0.02
     7   1     0.19   0.06   0.06    -0.10  -0.05  -0.03    -0.03   0.04  -0.06
     8   1     0.14  -0.05  -0.11    -0.08   0.06   0.08     0.02   0.15   0.14
     9   1    -0.10  -0.10  -0.08     0.04   0.00   0.07     0.08   0.18   0.10
    10   6     0.06  -0.08  -0.01     0.13  -0.06  -0.02    -0.02   0.01   0.00
    11   6    -0.10  -0.10  -0.00    -0.08  -0.03   0.00    -0.03  -0.02   0.00
    12   6     0.01   0.10   0.01     0.01   0.14   0.01    -0.00  -0.03  -0.00
    13   6     0.12  -0.07  -0.02     0.07  -0.04  -0.01     0.02  -0.03  -0.01
    14   6    -0.10  -0.08   0.00    -0.14  -0.04   0.01     0.04   0.01  -0.01
    15   1     0.32  -0.25  -0.06    -0.43   0.29   0.08     0.26  -0.17  -0.04
    16   1     0.39   0.14  -0.02    -0.12  -0.05   0.01     0.21   0.10  -0.01
    17   1    -0.00  -0.08  -0.01    -0.01  -0.29  -0.03     0.01   0.21   0.02
    18   1    -0.22   0.15   0.04     0.12  -0.06  -0.01    -0.26   0.15   0.04
    19   1    -0.19  -0.13   0.01     0.41   0.24  -0.02    -0.31  -0.17   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.3434              1410.6040              1486.5301
 Red. masses --      1.1950                 1.2382                 2.1007
 Frc consts  --      1.3945                 1.4516                 2.7350
 IR Inten    --     32.1707                30.7261                11.0043
 RamAct Fr= 1--      3.2739                 2.9675                 1.7747
  Dep-P Fr= 1--      0.7474                 0.7492                 0.6462
  Dep-U Fr= 1--      0.8555                 0.8566                 0.7851
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0033
 Beta2  Fr= 1--      0.4668                 0.4237                 0.2322
 AlphaG Fr= 1--     -0.0023                -0.0015                 0.0139
 Gamma2 Fr= 1--      0.8927                 0.5961                 0.3351
 Delta2 Fr= 1--     -0.6026                 0.4431                -0.0806
 Raman1 Fr= 1--      13.096                 11.870                  7.099
 ROA1   Fr= 1--      66.417                 71.409                 29.590
 CID1   Fr= 1--       5.072                  6.016                  4.168
 Raman2 Fr= 1--       5.601                  5.084                  2.787
 ROA2   Fr= 1--      26.246                 10.762                  8.687
 CID2   Fr= 1--       4.686                  2.117                  3.117
 Raman3 Fr= 1--      11.203                 10.168                  5.573
 ROA3   Fr= 1--      66.417                 71.409                 29.590
 CID3   Fr= 1--       5.929                  7.023                  5.309
 RC180  Fr= 1--       0.711                  0.713                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02   0.04    -0.02   0.02   0.04    -0.00  -0.00  -0.00
     2   6     0.04  -0.03  -0.03     0.01  -0.07  -0.03     0.03   0.04   0.01
     3   1     0.19  -0.33   0.15     0.18  -0.29   0.14    -0.01  -0.00  -0.00
     4   1    -0.23   0.47  -0.25    -0.15   0.53  -0.26    -0.14  -0.09   0.01
     5   6    -0.06  -0.08  -0.02     0.05   0.09   0.01     0.00  -0.02   0.01
     6   6    -0.00  -0.00  -0.01    -0.01   0.01  -0.00    -0.02  -0.15  -0.02
     7   1     0.26   0.22  -0.06    -0.21  -0.34   0.11    -0.15   0.13  -0.08
     8   1     0.36   0.20   0.11    -0.23  -0.22  -0.22     0.05   0.08   0.11
     9   1     0.06   0.41   0.04    -0.05  -0.35  -0.05    -0.01  -0.01  -0.16
    10   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.09   0.05  -0.00
    11   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00    -0.14   0.01   0.01
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00    -0.00  -0.12  -0.01
    13   6    -0.00   0.00   0.00     0.02  -0.01  -0.00     0.13  -0.00  -0.01
    14   6    -0.01  -0.00   0.00     0.00   0.01   0.00    -0.08   0.06   0.02
    15   1    -0.05   0.03   0.01     0.06  -0.03  -0.01    -0.10   0.19   0.03
    16   1    -0.01  -0.01  -0.00     0.07   0.04  -0.00     0.32   0.26  -0.00
    17   1     0.00  -0.03  -0.00     0.00   0.08   0.01     0.04   0.60   0.06
    18   1     0.04  -0.02  -0.01    -0.07   0.05   0.01    -0.28   0.28   0.06
    19   1     0.04   0.02  -0.00    -0.05  -0.02   0.00     0.10   0.17   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1496.5011              1497.8098              1534.4018
 Red. masses --      1.0739                 1.0560                 2.1825
 Frc consts  --      1.4171                 1.3958                 3.0275
 IR Inten    --      3.5379                 8.0368                 8.1864
 RamAct Fr= 1--      4.2117                 3.7628                 0.2351
  Dep-P Fr= 1--      0.6928                 0.6139                 0.7436
  Dep-U Fr= 1--      0.8185                 0.7607                 0.8529
 Alpha2 Fr= 1--      0.0042                 0.0094                 0.0000
 Beta2  Fr= 1--      0.5746                 0.4771                 0.0334
 AlphaG Fr= 1--     -0.0034                -0.0070                 0.0000
 Gamma2 Fr= 1--     -2.3878                 0.3567                 0.3748
 Delta2 Fr= 1--     -0.2067                 0.7194                -0.1395
 Raman1 Fr= 1--      16.847                 15.051                  0.940
 ROA1   Fr= 1--    -235.844                 57.263                 31.521
 CID1   Fr= 1--     -13.999                  3.805                 33.525
 Raman2 Fr= 1--       6.895                  5.725                  0.401
 ROA2   Fr= 1--     -55.654                  2.806                 10.112
 CID2   Fr= 1--      -8.072                  0.490                 25.218
 Raman3 Fr= 1--      13.790                 11.450                  0.802
 ROA3   Fr= 1--    -235.844                 57.263                 31.521
 CID3   Fr= 1--     -17.103                  5.001                 39.306
 RC180  Fr= 1--       0.637                  0.521                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.01  -0.00  -0.01    -0.00   0.00  -0.00
     2   6    -0.02   0.02  -0.01    -0.03   0.01   0.02    -0.03  -0.00   0.00
     3   1     0.01   0.00   0.00    -0.04   0.08  -0.03     0.01   0.00   0.00
     4   1     0.01  -0.06   0.02     0.09  -0.01   0.05    -0.02   0.00  -0.00
     5   6    -0.03   0.02  -0.04    -0.02   0.02   0.04     0.00   0.00  -0.00
     6   6     0.00  -0.03  -0.00     0.01  -0.01  -0.00     0.14  -0.00  -0.01
     7   1     0.60  -0.24   0.18    -0.07  -0.43   0.17     0.01   0.02  -0.01
     8   1    -0.18  -0.22  -0.22     0.51  -0.21  -0.43    -0.05   0.00   0.02
     9   1     0.07   0.13   0.61     0.02   0.38  -0.35     0.00  -0.01   0.03
    10   6     0.02   0.00  -0.00     0.00   0.00  -0.00    -0.06   0.09   0.02
    11   6    -0.02   0.01   0.00    -0.01  -0.00   0.00    -0.11  -0.09   0.00
    12   6    -0.00  -0.02  -0.00     0.00  -0.00  -0.00     0.10  -0.03  -0.01
    13   6     0.02  -0.00  -0.00    -0.00   0.00   0.00    -0.11   0.12   0.02
    14   6    -0.01   0.01   0.00    -0.00   0.00   0.00    -0.08  -0.10  -0.00
    15   1    -0.04   0.04  -0.00    -0.02   0.02   0.01     0.41  -0.19  -0.06
    16   1     0.03   0.04   0.00     0.02   0.01  -0.00     0.43   0.18  -0.02
    17   1     0.00   0.09   0.01     0.00   0.01   0.00     0.13   0.03  -0.01
    18   1    -0.05   0.04   0.01     0.00   0.00   0.00     0.43  -0.21  -0.06
    19   1     0.01   0.02   0.00     0.02   0.01  -0.00     0.43   0.15  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1627.7043              1649.3763              3028.0905
 Red. masses --      5.4621                 5.5004                 1.0736
 Frc consts  --      8.5264                 8.8163                 5.7999
 IR Inten    --      0.8399                 1.6432                 7.1099
 RamAct Fr= 1--      7.0313                39.8504               248.1494
  Dep-P Fr= 1--      0.7464                 0.6220                 0.0794
  Dep-U Fr= 1--      0.8548                 0.7669                 0.1471
 Alpha2 Fr= 1--      0.0004                 0.0932                 4.5681
 Beta2  Fr= 1--      1.0017                 5.0938                 6.0834
 AlphaG Fr= 1--     -0.0072                -0.0049                -1.7738
 Gamma2 Fr= 1--      0.5176                 0.7191                -1.9061
 Delta2 Fr= 1--      0.1403                -0.2423                -1.0553
 Raman1 Fr= 1--      28.125                159.402                992.598
 ROA1   Fr= 1--      54.182                 61.284               -216.753
 CID1   Fr= 1--       1.926                  0.384                 -0.218
 Raman2 Fr= 1--      12.021                 61.126                 73.001
 ROA2   Fr= 1--      11.300                 19.198                -37.303
 CID2   Fr= 1--       0.940                  0.314                 -0.511
 Raman3 Fr= 1--      24.042                122.252                146.002
 ROA3   Fr= 1--      54.182                 61.284               -216.753
 CID3   Fr= 1--       2.254                  0.501                 -1.485
 RC180  Fr= 1--       0.710                  0.534                 -0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01   0.04   0.00     0.03  -0.00  -0.00     0.01  -0.02  -0.07
     3   1     0.00  -0.01   0.00    -0.01   0.00  -0.00     0.01  -0.01  -0.01
     4   1    -0.10  -0.05   0.01     0.04  -0.01   0.01    -0.16   0.26   0.79
     5   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00     0.00   0.02   0.02
     6   6    -0.00  -0.29  -0.03    -0.21   0.03   0.03     0.00  -0.00  -0.00
     7   1    -0.00   0.01  -0.01    -0.01  -0.01   0.00     0.08  -0.15  -0.43
     8   1    -0.03  -0.00   0.01     0.00   0.00  -0.00     0.04  -0.14   0.13
     9   1     0.01   0.02   0.02    -0.00  -0.02  -0.01    -0.15   0.03   0.02
    10   6    -0.09   0.20   0.03     0.28  -0.10  -0.04    -0.00  -0.00  -0.00
    11   6    -0.09  -0.21  -0.02    -0.27  -0.06   0.02     0.00  -0.00  -0.00
    12   6     0.03   0.36   0.04     0.14  -0.00  -0.01     0.00   0.00   0.00
    13   6     0.04  -0.20  -0.03    -0.27   0.08   0.04     0.00   0.00  -0.00
    14   6     0.11   0.17   0.01     0.30   0.06  -0.02    -0.00   0.00   0.00
    15   1     0.35  -0.07  -0.04    -0.30   0.26   0.06     0.01   0.01   0.00
    16   1     0.28  -0.05  -0.03     0.25   0.21  -0.00     0.00   0.00  -0.00
    17   1    -0.01  -0.50  -0.06     0.15  -0.02  -0.02    -0.00   0.00   0.00
    18   1    -0.21  -0.06   0.01     0.24  -0.25  -0.05     0.00  -0.00  -0.00
    19   1    -0.27  -0.02   0.03    -0.32  -0.27   0.01     0.00  -0.00  -0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3035.0030              3097.0587              3117.3157
 Red. masses --      1.0471                 1.1002                 1.1009
 Frc consts  --      5.6825                 6.2174                 6.3032
 IR Inten    --     19.0612                28.5173                22.6329
 RamAct Fr= 1--     55.7015                47.0201               100.5920
  Dep-P Fr= 1--      0.1106                 0.4166                 0.5398
  Dep-U Fr= 1--      0.1992                 0.5882                 0.7011
 Alpha2 Fr= 1--      0.9501                 0.3279                 0.4069
 Beta2  Fr= 1--      1.8494                 4.6093                11.7544
 AlphaG Fr= 1--      0.1880                 0.9722                -0.4034
 Gamma2 Fr= 1--      0.9470                 0.9984                -2.2652
 Delta2 Fr= 1--     -0.8311                 2.6925                -2.5317
 Raman1 Fr= 1--     222.806                188.080                402.368
 ROA1   Fr= 1--      64.314                182.004               -298.468
 CID1   Fr= 1--       0.289                  0.968                 -0.742
 Raman2 Fr= 1--      22.193                 55.312                141.053
 ROA2   Fr= 1--      29.376                  2.420                -34.110
 CID2   Fr= 1--       1.324                  0.044                 -0.242
 Raman3 Fr= 1--      44.386                110.624                282.107
 ROA3   Fr= 1--      64.314                182.004               -298.468
 CID3   Fr= 1--       1.449                  1.645                 -1.058
 RC180  Fr= 1--      -0.602                  0.176                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.01  -0.04     0.00  -0.00  -0.01    -0.00   0.00   0.00
     3   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     4   1    -0.09   0.14   0.45    -0.03   0.05   0.14     0.01  -0.02  -0.04
     5   6    -0.01  -0.04  -0.01     0.01   0.02  -0.09    -0.08   0.04   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1    -0.10   0.19   0.54    -0.11   0.22   0.59     0.02  -0.06  -0.20
     8   1    -0.13   0.37  -0.34     0.19  -0.53   0.46     0.09  -0.28   0.26
     9   1     0.39  -0.09  -0.04    -0.16   0.04  -0.00     0.87  -0.18  -0.09
    10   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.01  -0.01  -0.00     0.01   0.01   0.00     0.02   0.02   0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    17   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3166.9710              3175.5023              3187.0981
 Red. masses --      1.0850                 1.0881                 1.0915
 Frc consts  --      6.4116                 6.4645                 6.5322
 IR Inten    --      0.4105                 6.7096                14.9840
 RamAct Fr= 1--     42.6591               119.5036                48.9530
  Dep-P Fr= 1--      0.6857                 0.7457                 0.6454
  Dep-U Fr= 1--      0.8136                 0.8543                 0.7845
 Alpha2 Fr= 1--      0.0482                 0.0088                 0.0922
 Beta2  Fr= 1--      5.7844                17.0154                 6.4006
 AlphaG Fr= 1--     -0.0127                -0.0043                -0.0645
 Gamma2 Fr= 1--      0.0192                 0.7977                 0.0734
 Delta2 Fr= 1--      0.1932                 0.4300                -0.9965
 Raman1 Fr= 1--     170.636                478.014                195.812
 ROA1   Fr= 1--       8.024                 90.341                -24.836
 CID1   Fr= 1--       0.047                  0.189                 -0.127
 Raman2 Fr= 1--      69.413                204.185                 76.807
 ROA2   Fr= 1--      -1.086                 15.706                  9.735
 CID2   Fr= 1--      -0.016                  0.077                  0.127
 Raman3 Fr= 1--     138.825                408.370                153.615
 ROA3   Fr= 1--       8.024                 90.341                -24.836
 CID3   Fr= 1--       0.058                  0.221                 -0.162
 RC180  Fr= 1--       0.627                  0.709                  0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.01  -0.01
     9   1     0.00  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    10   6     0.01   0.01   0.00     0.01   0.02   0.00    -0.01  -0.02  -0.00
    11   6     0.02  -0.04  -0.01     0.03  -0.05  -0.01    -0.01   0.03   0.00
    12   6    -0.05   0.00   0.00    -0.01   0.00   0.00    -0.06   0.00   0.01
    13   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.00  -0.00  -0.00
    14   6     0.01  -0.02  -0.00    -0.01   0.03   0.00    -0.02   0.05   0.01
    15   1    -0.08  -0.13  -0.01    -0.13  -0.20  -0.01     0.15   0.23   0.01
    16   1    -0.23   0.45   0.07    -0.29   0.59   0.10     0.14  -0.29  -0.05
    17   1     0.57  -0.03  -0.06     0.08  -0.01  -0.01     0.63  -0.03  -0.06
    18   1    -0.31  -0.47  -0.03     0.32   0.50   0.03    -0.01   0.00   0.00
    19   1    -0.11   0.21   0.03     0.16  -0.33  -0.05     0.29  -0.56  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3194.3051              3201.2175              3776.7472
 Red. masses --      1.0945                 1.0940                 1.0660
 Frc consts  --      6.5797                 6.6051                 8.9583
 IR Inten    --     19.6470                 7.3182                18.2674
 RamAct Fr= 1--    130.7778               229.0433                67.2455
  Dep-P Fr= 1--      0.0913                 0.1003                 0.1148
  Dep-U Fr= 1--      0.1673                 0.1824                 0.2059
 Alpha2 Fr= 1--      2.3388                 4.0068                 1.1354
 Beta2  Fr= 1--      3.6474                 6.9625                 2.3076
 AlphaG Fr= 1--      0.4596                -0.0422                 0.8916
 Gamma2 Fr= 1--      3.4574                -2.5639                 6.5806
 Delta2 Fr= 1--      3.2175                -2.1369                 0.4856
 Raman1 Fr= 1--     523.111                916.173                268.982
 ROA1   Fr= 1--     434.870               -314.514                647.279
 CID1   Fr= 1--       0.831                 -0.343                  2.406
 Raman2 Fr= 1--      43.769                 83.550                 27.692
 ROA2   Fr= 1--      57.237                -44.437                154.049
 CID2   Fr= 1--       1.308                 -0.532                  5.563
 Raman3 Fr= 1--      87.538                167.101                 55.383
 ROA3   Fr= 1--     434.870               -314.514                647.279
 CID3   Fr= 1--       4.968                 -1.882                 11.687
 RC180  Fr= 1--      -0.665                 -0.635                 -0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.06
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.29   0.14   0.95
     4   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00  -0.00
     8   1    -0.00   0.01  -0.01    -0.01   0.02  -0.02    -0.00  -0.00   0.00
     9   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00   0.00  -0.00
    10   6    -0.02  -0.03  -0.00    -0.04  -0.06  -0.00     0.00  -0.00   0.00
    11   6    -0.00   0.01   0.00     0.02  -0.03  -0.01    -0.00  -0.00  -0.00
    12   6    -0.04   0.00   0.00     0.02   0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.04  -0.00     0.01   0.01   0.00    -0.00  -0.00  -0.00
    14   6     0.03  -0.05  -0.01    -0.01   0.01   0.00     0.00   0.00  -0.00
    15   1     0.20   0.32   0.02     0.45   0.70   0.04    -0.00  -0.00   0.00
    16   1     0.02  -0.06  -0.01    -0.19   0.37   0.06     0.00  -0.00  -0.00
    17   1     0.42  -0.02  -0.04    -0.27   0.01   0.03     0.00  -0.00   0.00
    18   1     0.29   0.45   0.02    -0.09  -0.15  -0.01     0.00   0.00   0.00
    19   1    -0.28   0.54   0.08     0.06  -0.11  -0.02    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   521.722681532.203461968.36885
           X            0.99962   0.02743  -0.00325
           Y           -0.02740   0.99960   0.00701
           Z            0.00344  -0.00692   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16602     0.05653     0.04400
 Rotational constants (GHZ):           3.45920     1.17787     0.91687
 Zero-point vibrational energy     422754.7 (Joules/Mol)
                                  101.04079 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     38.35   209.21   316.64   398.83   417.34
          (Kelvin)            494.02   570.95   595.55   681.96   717.97
                              881.69   918.12  1025.26  1080.31  1140.10
                             1238.36  1299.12  1341.12  1395.30  1414.89
                             1472.49  1477.39  1518.68  1554.24  1564.87
                             1626.84  1705.92  1740.86  1761.68  1822.68
                             1907.45  1951.97  1976.17  2024.85  2029.54
                             2138.79  2153.13  2155.01  2207.66  2341.90
                             2373.08  4356.75  4366.69  4455.98  4485.12
                             4556.56  4568.84  4585.52  4595.89  4605.84
                             5433.90
 
 Zero-point correction=                           0.161019 (Hartree/Particle)
 Thermal correction to Energy=                    0.169366
 Thermal correction to Enthalpy=                  0.170310
 Thermal correction to Gibbs Free Energy=         0.127380
 Sum of electronic and zero-point Energies=           -386.114894
 Sum of electronic and thermal Energies=              -386.106548
 Sum of electronic and thermal Enthalpies=            -386.105603
 Sum of electronic and thermal Free Energies=         -386.148533
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.278             32.215             90.353
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.844
 Vibrational            104.501             26.253             21.196
 Vibration     1          0.593              1.984              6.064
 Vibration     2          0.617              1.908              2.731
 Vibration     3          0.647              1.811              1.958
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.686              1.692              1.474
 Vibration     6          0.722              1.589              1.196
 Vibration     7          0.763              1.477              0.974
 Vibration     8          0.778              1.440              0.913
 Vibration     9          0.831              1.308              0.726
 Vibration    10          0.854              1.252              0.661
 Vibration    11          0.972              1.005              0.428
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.256598D-58        -58.590747       -134.910180
 Total V=0       0.296941D+16         15.472671         35.627140
 Vib (Bot)       0.107793D-71        -71.967408       -165.711081
 Vib (Bot)    1  0.776928D+01          0.890381          2.050177
 Vib (Bot)    2  0.139628D+01          0.144973          0.333813
 Vib (Bot)    3  0.898764D+00         -0.046354         -0.106735
 Vib (Bot)    4  0.694599D+00         -0.158266         -0.364421
 Vib (Bot)    5  0.659246D+00         -0.180953         -0.416659
 Vib (Bot)    6  0.539638D+00         -0.267898         -0.616857
 Vib (Bot)    7  0.450186D+00         -0.346608         -0.798095
 Vib (Bot)    8  0.426166D+00         -0.370421         -0.852925
 Vib (Bot)    9  0.354664D+00         -0.450183         -1.036585
 Vib (Bot)   10  0.329641D+00         -0.481959         -1.109751
 Vib (Bot)   11  0.240452D+00         -0.618971         -1.425234
 Vib (V=0)       0.124741D+03          2.096009          4.826240
 Vib (V=0)    1  0.828535D+01          0.918311          2.114489
 Vib (V=0)    2  0.198311D+01          0.297346          0.684664
 Vib (V=0)    3  0.152848D+01          0.184261          0.424276
 Vib (V=0)    4  0.135584D+01          0.132209          0.304423
 Vib (V=0)    5  0.132741D+01          0.123005          0.283229
 Vib (V=0)    6  0.123567D+01          0.091902          0.211613
 Vib (V=0)    7  0.117281D+01          0.069226          0.159399
 Vib (V=0)    8  0.115698D+01          0.063324          0.145810
 Vib (V=0)    9  0.111301D+01          0.046501          0.107072
 Vib (V=0)   10  0.109889D+01          0.040952          0.094296
 Vib (V=0)   11  0.105481D+01          0.023175          0.053363
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.449032D+06          5.652277         13.014849
 
                                                          ROA calculations.
                                                             IR Spectrum
 
      3               3333333 33                                             11 1111111111111111111                                  
      7               2111110 00                                             66 54444433322211000009999 8 77 7 66   4443 322 2  1    
      7               0987619 32                                             42 39981075262183885228730 6 95 1 31   9719 497 2  4   2
      7               1476777 58                                             98 48771747674061806733023 1 21 3 83   9447 307 0  5   7
 
      X               XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXX XX X XX X XX   XXXX XXX X  X   X
      X               XXXX XX XX                                                XX XXXXXXXX  XXXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                 XX XXXX  XX   XXXXX   X   XX X  X   XX   XXX         
      X                XX  XX X                                                    XXXX  X    XXX X   X    X X  X   X    XXX         
      X                XX  XX X                                                     XXX       XXX X   X    X X  X        XXX         
      X                X   XX X                                                     XX        XXX X        X X  X        XXX         
                           XX                                                       XX        XX  X        X X            XX         
                            X                                                       XX        XX             X            XX         
                            X                                                       XX        XX             X            XX         
                                                                                    XX        XX             X            XX         
                                                                                     X                       X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                             X            XX         
                                                                                                                          XX         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003628    0.000002084   -0.000005617
      2        6           0.000011094   -0.000006758    0.000005180
      3        1           0.000000439    0.000001446   -0.000001157
      4        1           0.000000208   -0.000000078    0.000002417
      5        6          -0.000001972   -0.000005787   -0.000005001
      6        6          -0.000002105    0.000037070    0.000004691
      7        1          -0.000000140    0.000000737    0.000001431
      8        1          -0.000000886    0.000000994    0.000000070
      9        1           0.000001112    0.000000549    0.000000635
     10        6           0.000014776   -0.000014667   -0.000003090
     11        6          -0.000019276   -0.000008097    0.000000300
     12        6           0.000001082    0.000019475    0.000002809
     13        6           0.000017413   -0.000013696   -0.000002984
     14        6          -0.000018375   -0.000015751   -0.000002376
     15        1          -0.000000477    0.000000594    0.000000408
     16        1           0.000000311    0.000000545    0.000000728
     17        1          -0.000000831   -0.000000636   -0.000000241
     18        1          -0.000001178    0.000001198   -0.000000073
     19        1           0.000002430    0.000000777    0.000001872
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037070 RMS     0.000008480
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131722D+03  0.140281D+01 -0.279652D+01
      2   0.140281D+01  0.108935D+03  0.276608D+01
      3  -0.279652D+01  0.276608D+01  0.713843D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.149204D+01 -0.374307D+01 -0.609255D+01
      2   0.128303D+02 -0.701315D+01  0.373665D+01
      3   0.110286D+02  0.391173D+02  0.669422D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.901014D+02 -0.855323D+01  0.104578D+02
      2   0.414951D+02  0.236230D+02 -0.503093D+01
      3   0.486063D+02 -0.150698D+02 -0.542689D+01
      4   0.240245D+02 -0.688668D+02 -0.170890D+02
      5   0.722242D+01 -0.171320D+02  0.987595D+01
      6  -0.574616D+01 -0.245087D+01  0.135305D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.411961D+01 -0.233349D+01  0.102159D+01 -0.510697D+01  0.339409D+01
      2  -0.233349D+01  0.217103D+01 -0.814510D+00  0.339409D+01 -0.442196D+01
      3   0.102159D+01 -0.814510D+00  0.139892D+01 -0.585602D+00  0.124346D+01
                 6             7             8             9            10 
      1  -0.585602D+00 -0.535185D+00 -0.605138D+00  0.116225D+01 -0.470559D+01
      2   0.124346D+01 -0.605138D+00  0.147140D+00 -0.968233D+00  0.922797D+00
      3  -0.251909D+00  0.116225D+01 -0.968233D+00 -0.514100D+01  0.110410D+01
                11            12            13            14            15 
      1   0.922797D+00  0.110410D+01  0.296289D+01 -0.426856D+01  0.219202D+00
      2  -0.218178D+01  0.324460D+00 -0.426856D+01  0.132585D+00 -0.624133D+00
      3   0.324460D+00 -0.791250D+00  0.219202D+00 -0.624133D+00  0.189549D+01
                16            17            18            19            20 
      1   0.265398D+01  0.196290D+00 -0.284459D+01 -0.962100D+00  0.180584D+00
      2   0.196290D+00 -0.941436D+00  0.282370D+01  0.180584D+00 -0.268577D+00
      3  -0.284459D+01  0.282370D+01  0.693245D+01  0.118868D+00  0.322311D+00
                21            22            23            24            25 
      1   0.118868D+00  0.584896D+00  0.148212D+00  0.913543D-01  0.247731D+01
      2   0.322311D+00  0.148212D+00 -0.557909D+00  0.547779D+00 -0.547893D+00
      3  -0.148679D+01  0.913543D-01  0.547779D+00  0.264259D+00  0.725494D+00
                26            27            28            29            30 
      1  -0.547893D+00  0.725494D+00  0.205766D+01 -0.423626D+00 -0.176282D+01
      2   0.191128D+01 -0.116236D+01 -0.423626D+00  0.697436D+00  0.297274D+00
      3  -0.116236D+01  0.698687D+01 -0.176282D+01  0.297274D+00  0.139817D+01
                31            32            33            34            35 
      1  -0.185886D+01  0.165257D+01  0.515802D+00 -0.484274D+01  0.656476D+00
      2   0.165257D+01 -0.119716D+01 -0.119411D+01  0.656476D+00 -0.161363D+01
      3   0.515802D+00 -0.119411D+01 -0.179017D+01  0.292983D+01 -0.187791D+01
                36            37            38            39            40 
      1   0.292983D+01 -0.715830D+01  0.207963D+01  0.836511D+00  0.409998D+01
      2  -0.187791D+01  0.207963D+01  0.264325D+01 -0.346260D+00  0.252121D+01
      3  -0.772791D+01  0.836511D+00 -0.346260D+00  0.146044D+01 -0.243940D+00
                41            42            43            44            45 
      1   0.252121D+01 -0.243940D+00  0.298415D+00  0.144858D+00  0.351586D+00
      2  -0.887914D+00  0.164844D+01  0.144858D+00  0.186092D+01 -0.389133D+01
      3   0.164844D+01 -0.397454D+01  0.351586D+00 -0.389133D+01 -0.380162D+01
                46            47            48            49            50 
      1   0.183884D+02 -0.222004D+01 -0.749416D+00 -0.219751D+01 -0.160635D+01
      2  -0.222004D+01  0.262885D+01 -0.855581D-01 -0.160635D+01 -0.217503D+00
      3  -0.749416D+00 -0.855581D-01  0.205362D+01 -0.476973D+00  0.147951D+00
                51            52            53            54            55 
      1  -0.476973D+00 -0.626452D+00 -0.421721D+00  0.395473D+01  0.199650D+00
      2   0.147951D+00 -0.421721D+00 -0.532256D-01 -0.363361D+00  0.249750D-01
      3  -0.577222D+00  0.395473D+01 -0.363361D+00 -0.136132D+01  0.580720D+00
                56            57            58            59            60 
      1   0.249750D-01  0.580720D+00  0.220291D+00  0.217716D+00  0.577796D-01
      2  -0.574076D+00 -0.117721D+00  0.217716D+00  0.186496D+01  0.108369D+01
      3  -0.117721D+00 -0.689191D+00  0.577796D-01  0.108369D+01  0.170592D+01
                61            62            63            64            65 
      1   0.223815D+01  0.781427D+00  0.670380D+00 -0.167689D+00  0.242586D+00
      2   0.781427D+00  0.221732D+01  0.229397D+01  0.242586D+00 -0.861447D+00
      3   0.670380D+00  0.229397D+01  0.604089D+01 -0.567321D+00  0.369903D+00
                66            67            68            69            70 
      1  -0.567321D+00  0.131478D+01  0.406364D+00 -0.663258D-01 -0.173936D+01
      2   0.369903D+00  0.406364D+00  0.520794D+01 -0.246453D+01 -0.566596D+00
      3  -0.601986D+00 -0.663258D-01 -0.246453D+01  0.262336D+01  0.160649D+00
                71            72            73            74            75 
      1  -0.566596D+00  0.160649D+00  0.121103D+02  0.499517D+00 -0.758795D+00
      2  -0.323370D+01  0.259089D+01  0.499517D+00  0.115877D+01 -0.249699D-02
      3   0.259089D+01 -0.289414D+01 -0.758795D+00 -0.249699D-02  0.119092D+01
                76            77            78            79            80 
      1  -0.197443D+01  0.770203D+00  0.684865D-01 -0.960092D+00 -0.762173D-01
      2   0.770203D+00 -0.289078D+00 -0.241771D+00 -0.762173D-01 -0.456836D+00
      3   0.684865D-01 -0.241771D+00 -0.173153D-01  0.124705D+01  0.420036D+00
                81            82            83            84            85 
      1   0.124705D+01 -0.536377D+01 -0.875863D+00 -0.236351D-01  0.839291D+01
      2   0.420036D+00 -0.875863D+00  0.340214D+01  0.718795D+00  0.133133D+00
      3  -0.711021D-01 -0.236351D-01  0.718795D+00  0.168192D+01 -0.800425D-01
                86            87            88            89            90 
      1   0.133133D+00 -0.800425D-01  0.171014D+01  0.576879D-01  0.172662D+01
      2   0.172280D+01 -0.556789D+00  0.576879D-01 -0.970126D+00  0.349629D+01
      3  -0.556789D+00  0.194703D+01  0.172662D+01  0.349629D+01  0.385265D+00
                91            92            93            94            95 
      1   0.409583D+01  0.898027D-01 -0.274824D+00  0.559709D+01 -0.264373D-01
      2   0.898027D-01 -0.268773D+01  0.285177D+00 -0.264373D-01  0.107385D+01
      3  -0.274824D+00  0.285177D+00 -0.914924D+00  0.139053D+00 -0.640252D+00
                96            97            98            99           100 
      1   0.139053D+00  0.377535D-01  0.612197D+00 -0.225400D+01 -0.593955D+01
      2  -0.640252D+00  0.612197D+00 -0.564335D+00  0.394090D+01  0.160183D-01
      3   0.226823D+01 -0.225400D+01  0.394090D+01  0.166902D+01 -0.495459D+00
               101           102           103           104           105 
      1   0.160183D-01 -0.495459D+00  0.553786D+00  0.622709D+00  0.583770D+00
      2  -0.327157D+01 -0.344718D-01  0.622709D+00 -0.394340D+00 -0.247800D+00
      3  -0.344718D-01 -0.281564D+01  0.583770D+00 -0.247800D+00 -0.614279D-01
               106           107           108           109           110 
      1  -0.357155D+00  0.691065D+00 -0.548811D+01  0.285475D+01 -0.394540D+00
      2   0.691065D+00  0.278294D+00  0.108024D+00 -0.394540D+00 -0.298430D+01
      3  -0.548811D+01  0.108024D+00  0.106713D+01 -0.528885D+00 -0.659038D+00
               111           112           113           114           115 
      1  -0.528885D+00 -0.588742D+01  0.554204D+00  0.618716D+00 -0.141313D+01
      2  -0.659038D+00  0.554204D+00 -0.361499D+00  0.666729D+00  0.371906D-01
      3  -0.151718D+01  0.618716D+00  0.666729D+00 -0.224552D+01 -0.290319D+01
               116           117           118           119           120 
      1   0.371906D-01 -0.290319D+01 -0.457409D+01  0.195399D+01  0.241735D+00
      2   0.105812D+01 -0.365829D+01  0.195399D+01  0.314065D+01 -0.153458D+00
      3  -0.365829D+01 -0.465420D+00  0.241735D+00 -0.153458D+00  0.128639D+01
               121           122           123           124           125 
      1  -0.705539D+01  0.673192D+00 -0.216484D+00 -0.667318D-01 -0.455520D+00
      2   0.673192D+00 -0.156854D+01  0.560436D+00 -0.455520D+00  0.876748D-01
      3  -0.216484D+00  0.560436D+00 -0.169169D+01  0.887110D+00 -0.360557D+01
               126           127           128           129           130 
      1   0.887110D+00  0.314571D+01  0.217639D+01  0.102028D-01  0.241788D+01
      2  -0.360557D+01  0.217639D+01  0.232685D+01  0.326810D-01  0.268915D+01
      3  -0.158931D+01  0.102028D-01  0.326810D-01  0.156168D+00  0.135051D+00
               131           132           133           134           135 
      1   0.268915D+01  0.135051D+00 -0.207451D+00  0.114213D+00 -0.859306D-01
      2   0.664790D+01  0.332226D+00  0.114213D+00  0.469431D+00  0.825201D-01
      3   0.332226D+00  0.737707D+00 -0.859306D-01  0.825201D-01  0.371988D-01
               136           137           138           139           140 
      1  -0.291054D+01  0.295599D+01  0.520995D+00  0.281321D+01 -0.404910D+01
      2   0.295599D+01 -0.317233D+01 -0.539415D+00 -0.404910D+01  0.869005D+01
      3   0.520995D+00 -0.539415D+00 -0.552534D+00 -0.582916D+00  0.118447D+01
               141           142           143           144           145 
      1  -0.582916D+00  0.611905D+00 -0.747766D+00 -0.183695D+00 -0.131839D+02
      2   0.118447D+01 -0.747766D+00  0.133096D+01  0.207014D+00  0.410803D+00
      3   0.109520D+01 -0.183695D+00  0.207014D+00  0.182544D+00  0.111496D+01
               146           147           148           149           150 
      1   0.410803D+00  0.111496D+01  0.451020D+00 -0.159945D+01 -0.216109D+00
      2  -0.872537D+00 -0.157701D-01 -0.159945D+01  0.134861D+00  0.138817D+00
      3  -0.157701D-01 -0.112758D+01 -0.216109D+00  0.138817D+00  0.805841D-01
               151           152           153           154           155 
      1   0.128635D+01 -0.213660D+00 -0.727625D-01 -0.402908D+01 -0.354306D+01
      2  -0.213660D+00  0.884241D-01  0.263861D-01 -0.354306D+01 -0.363948D+01
      3  -0.727625D-01  0.263861D-01  0.123981D+00 -0.113724D+00 -0.729801D-01
               156           157           158           159           160 
      1  -0.113724D+00 -0.349224D+01 -0.451263D+01 -0.334745D+00 -0.144198D+00
      2  -0.729801D-01 -0.451263D+01 -0.781882D+01 -0.446342D+00 -0.166705D+00
      3  -0.569234D+00 -0.334745D+00 -0.446342D+00 -0.903426D+00 -0.421744D-01
               161           162           163           164           165 
      1  -0.166705D+00 -0.421744D-01  0.202279D+01 -0.176246D+01 -0.274801D+00
      2  -0.541867D+00 -0.145765D+00 -0.176246D+01  0.234486D+01  0.491078D+00
      3  -0.145765D+00 -0.943150D-01 -0.274801D+00  0.491078D+00  0.439768D+00
               166           167           168           169           170 
      1  -0.183591D+01  0.227977D+01  0.373923D+00 -0.421504D+00  0.509809D+00
      2   0.227977D+01 -0.776024D+01 -0.113826D+01  0.509809D+00 -0.107441D+01
      3   0.373923D+00 -0.113826D+01 -0.110456D+01  0.587627D-01 -0.316907D+00
               171 
      1   0.587627D-01
      2  -0.316907D+00
      3  -0.279213D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174666D+01  0.137683D+01  0.322333D+01 -0.249219D+01  0.725334D+00
      2   0.106787D+01 -0.283633D+01  0.991600D+01  0.400636D+00  0.291892D+01
      3   0.164860D+01 -0.108955D+02  0.161896D+01 -0.434668D+00  0.957603D+01
                 6             7             8             9            10 
      1  -0.660775D+01 -0.531532D+00  0.142914D+01 -0.773539D+01 -0.410785D+00
      2  -0.151207D+01  0.341452D+01 -0.901463D+00 -0.114583D+02  0.213470D+01
      3  -0.205377D+01  0.171889D+01 -0.154742D+01  0.796329D+00 -0.223386D+01
                11            12            13            14            15 
      1   0.149480D+00 -0.195614D-02  0.295171D+01  0.202532D+01 -0.226284D+00
      2   0.280459D+00 -0.164245D+01 -0.889387D+00 -0.343701D+01  0.337162D+01
      3   0.224764D+01  0.258446D+00  0.141282D+02  0.408071D+00  0.173372D+01
                16            17            18            19            20 
      1   0.454389D+00  0.370943D+01 -0.182404D+01  0.937362D-01 -0.529444D+00
      2  -0.109116D+02  0.460493D+01  0.105299D+02  0.283775D+01  0.284240D+00
      3   0.798107D+00  0.393937D+01 -0.704630D+01  0.132992D+01  0.106368D+01
                21            22            23            24            25 
      1  -0.234577D+01 -0.166872D+00  0.134304D+01  0.265898D-01  0.740231D+00
      2  -0.358728D+01 -0.132761D+01  0.829682D+00  0.724577D+00 -0.294445D+01
      3  -0.787248D+00  0.969470D+00  0.640151D+00 -0.577129D+00 -0.601869D+00
                26            27            28            29            30 
      1   0.109243D+01  0.107055D+02 -0.171653D+00 -0.146356D+01  0.120514D+00
      2  -0.280774D+01  0.159564D+02 -0.218681D+01  0.602196D+00  0.311217D+01
      3  -0.309034D+01  0.341781D+01  0.572777D+00 -0.358017D+01 -0.402548D+00
                31            32            33            34            35 
      1  -0.187047D+01  0.103090D+01 -0.826608D+00  0.827804D-01  0.244886D+01
      2   0.256484D+00 -0.605940D+00 -0.325463D+01  0.655829D+00 -0.295170D+01
      3  -0.203507D+01  0.211020D+01  0.227528D+01 -0.292123D+00  0.285119D+01
                36            37            38            39            40 
      1  -0.213346D+00 -0.197016D+01 -0.367398D+00 -0.265454D+01 -0.802504D+00
      2  -0.126885D+02  0.307863D+01  0.479745D-02  0.646452D+01  0.608632D+00
      3   0.392945D+01 -0.173122D+02 -0.889019D+01  0.256482D+01 -0.137162D+01
                41            42            43            44            45 
      1  -0.441733D+01  0.348090D+01  0.106393D+01  0.749260D+01  0.409922D+01
      2   0.524360D+01 -0.107166D+02 -0.138317D+01 -0.110443D+02 -0.966525D+01
      3   0.737449D+01 -0.577231D+01  0.206581D+01 -0.531719D+01  0.141043D+02
                46            47            48            49            50 
      1   0.562472D+00  0.137492D+01  0.133098D+01  0.313307D+01 -0.190288D+01
      2  -0.173718D+01 -0.572701D+00 -0.743197D+00 -0.602168D+00 -0.444341D+00
      3   0.745504D+01  0.628430D+01 -0.157896D-01  0.167071D+02  0.740394D+00
                51            52            53            54            55 
      1   0.171499D+01  0.539737D+00  0.109100D+02  0.126164D+01 -0.416003D+00
      2  -0.600227D+00 -0.142409D+02 -0.751658D+00  0.110568D+00  0.262330D+01
      3  -0.467736D+00 -0.219236D+01 -0.285216D+01  0.466198D+00 -0.963076D+00
                56            57            58            59            60 
      1  -0.201982D+00  0.893193D+00 -0.195321D+00 -0.128153D+01 -0.424908D+01
      2  -0.174450D+00 -0.119835D+01 -0.535054D+00  0.280396D+01  0.500339D+01
      3   0.155455D+01  0.128881D+01  0.226453D+01 -0.496840D+01 -0.302912D+01
                61            62            63            64            65 
      1  -0.783492D+00 -0.622288D+00 -0.882978D+01  0.296348D+00 -0.590238D-02
      2  -0.175504D+01  0.596664D+01  0.159685D+02 -0.221767D+01  0.622405D+00
      3   0.174109D+01 -0.584382D+01 -0.702478D+01 -0.294806D+01  0.258898D+01
                66            67            68            69            70 
      1   0.138077D+01  0.193649D+00  0.154914D+01 -0.508302D+01  0.353249D+00
      2  -0.138750D+01  0.809716D+00 -0.600116D+01  0.641747D+01 -0.206327D+01
      3  -0.199002D+01  0.420593D+01 -0.145504D+02  0.730094D+01 -0.216875D+01
                71            72            73            74            75 
      1  -0.124217D+01  0.386916D+01  0.220245D+00 -0.336111D+00 -0.139129D+01
      2   0.580392D+01 -0.677799D+01 -0.515803D+00  0.297615D+00  0.595451D+01
      3   0.883590D+01 -0.762969D+01  0.135017D+02 -0.613949D+01 -0.108262D+01
                76            77            78            79            80 
      1  -0.185014D+00  0.346828D+00 -0.486681D+00 -0.993939D+00  0.557500D+00
      2   0.550546D-01 -0.494899D+00 -0.353676D+00  0.208535D+01  0.110247D+01
      3  -0.261947D+01  0.213373D+01  0.905054D+00 -0.115537D+01  0.142668D+01
                81            82            83            84            85 
      1  -0.169374D+00 -0.152636D+01  0.333498D+00 -0.312697D+01  0.946825D+00
      2   0.167049D+00 -0.268693D+01 -0.405186D-01 -0.165185D+01  0.269341D+01
      3  -0.490524D+00 -0.661334D+01 -0.586682D+00  0.132219D+01  0.517615D+01
                86            87            88            89            90 
      1   0.372027D+00 -0.226296D+01 -0.596338D+01  0.241439D+01  0.680673D+00
      2  -0.428994D+00 -0.529242D+00 -0.134894D+02  0.316580D-01  0.622237D+00
      3   0.481886D+01 -0.594130D+00  0.187969D+01  0.127787D+00  0.493465D+01
                91            92            93            94            95 
      1   0.194810D+01 -0.759692D+00  0.197995D+01  0.107208D+00  0.139871D+00
      2   0.465754D+00  0.376056D+00  0.445824D+00  0.818323D+00  0.206572D+01
      3   0.384841D+01 -0.108671D+02 -0.118589D+01  0.614243D+01  0.175547D+01
                96            97            98            99           100 
      1  -0.303705D+01  0.562757D+01  0.163690D+01 -0.905053D+00 -0.803702D-01
      2  -0.604230D+01 -0.725254D+01 -0.103046D+02 -0.206167D+01 -0.570532D-01
      3  -0.141130D+01 -0.444386D-01 -0.921603D+00  0.536220D+01 -0.640026D+00
               101           102           103           104           105 
      1   0.746015D+00  0.636928D+00  0.208377D+00 -0.193392D+01  0.275308D+01
      2  -0.122552D+00  0.794413D+01 -0.226563D+01  0.161995D+00  0.135862D+00
      3  -0.724544D+01  0.558375D-01  0.109936D+02 -0.333355D+01 -0.164789D+01
               106           107           108           109           110 
      1   0.112405D+01  0.115329D+02  0.142465D+01 -0.126022D+01 -0.277117D+00
      2   0.853721D+01 -0.527553D+00 -0.226351D+01  0.108425D+01  0.188449D+01
      3   0.183200D+01 -0.655986D+00 -0.658843D+00  0.828326D+00 -0.133358D+02
               111           112           113           114           115 
      1  -0.285774D+01  0.125853D+01  0.247948D+00 -0.228456D+01 -0.647867D+01
      2   0.179277D+01 -0.678305D+00 -0.183771D+01  0.584061D+01 -0.488315D+01
      3  -0.157040D+01  0.350168D+01  0.211244D+01  0.113972D+01  0.457585D+00
               116           117           118           119           120 
      1   0.291556D+01  0.104246D+01  0.533740D+00 -0.344685D+00  0.237441D+01
      2   0.103196D+02  0.224496D+01 -0.306260D+01  0.109202D+01 -0.145402D+01
      3   0.303369D+01 -0.448068D+01 -0.919228D+00 -0.125081D+01 -0.139794D+01
               121           122           123           124           125 
      1  -0.934934D+00 -0.416532D+00 -0.272422D+01  0.502131D+01  0.201830D+01
      2   0.350758D+00  0.520297D+00  0.162718D+01 -0.135853D+02  0.119797D+01
      3   0.121856D+01 -0.846812D+01  0.888133D-01 -0.263800D+01  0.527882D+00
               126           127           128           129           130 
      1  -0.113044D+01  0.204112D+00  0.255541D+00 -0.143727D+01 -0.230547D+00
      2   0.168384D+01 -0.605401D+00 -0.103221D+00  0.150316D+00 -0.105671D+00
      3  -0.562984D+01  0.974509D+01  0.437895D+01 -0.844260D-01  0.843131D+01
               131           132           133           134           135 
      1  -0.293164D+00 -0.346102D+01  0.507902D+00  0.186438D+01 -0.807376D-01
      2  -0.425032D+00  0.863208D+00 -0.188609D+01 -0.459687D+00 -0.386106D-02
      3   0.675100D+01  0.411895D+00 -0.362882D+00  0.185210D+00 -0.984728D-02
               136           137           138           139           140 
      1  -0.225856D+00  0.123303D+00  0.203505D+01  0.127730D+00  0.182107D+00
      2  -0.503010D+00  0.757953D+00  0.210026D+01  0.509260D+00 -0.195524D+01
      3   0.921292D+00 -0.343238D+01 -0.450657D+00 -0.168462D+01  0.131992D+02
               141           142           143           144           145 
      1  -0.433364D+01 -0.554428D+00  0.191669D+01 -0.409161D+00 -0.134258D+00
      2  -0.342960D+01 -0.561809D+00  0.396006D+00 -0.452049D+00 -0.171493D+01
      3   0.168225D+01 -0.377272D+00  0.164220D+01  0.476870D-01 -0.400220D+00
               146           147           148           149           150 
      1  -0.355581D+00  0.288552D+00 -0.163798D+00 -0.200105D-01 -0.354876D+00
      2  -0.628616D-01  0.677927D+01  0.777598D+00 -0.278754D+00 -0.396214D+00
      3  -0.553442D+01  0.147424D+00 -0.376436D+01  0.315823D+00  0.322720D+00
               151           152           153           154           155 
      1  -0.398700D-01  0.580891D+00  0.610824D-02  0.212136D+00  0.466326D+00
      2  -0.287835D+01 -0.289186D-01 -0.528169D+00 -0.431282D+00 -0.380072D+00
      3  -0.825266D+00  0.531633D+00  0.166297D+00 -0.124093D+01 -0.475955D+01
               156           157           158           159           160 
      1  -0.223603D+01 -0.130030D+00  0.177508D+00 -0.384501D+01  0.790923D+00
      2   0.251370D+01  0.196841D+00  0.331132D+00  0.337789D+01 -0.866269D+00
      3   0.133907D-01 -0.288658D+01 -0.123352D+02 -0.441802D+00 -0.371424D+00
               161           162           163           164           165 
      1   0.160994D+01 -0.162806D+00  0.378113D+00 -0.184443D+00  0.178787D+01
      2  -0.569824D+00  0.220530D+00  0.102802D+01 -0.526627D+00  0.183169D+00
      3  -0.126071D+01 -0.184412D+00 -0.728222D+01  0.393123D+01  0.314774D+00
               166           167           168           169           170 
      1  -0.357032D+00  0.742448D+00 -0.388480D+01 -0.258771D+00  0.220280D+01
      2  -0.107290D+01  0.103377D+01 -0.527230D+00 -0.185284D+01  0.222470D+00
      3   0.691864D+01 -0.757841D+01 -0.126350D+01  0.536595D+00 -0.161232D+01
               171 
      1  -0.246358D+00
      2  -0.206516D+00
      3  -0.700298D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183897D+02 -0.187332D+01 -0.883238D+00 -0.686292D+01 -0.264244D+01
      2  -0.864824D+01 -0.368536D+01 -0.287052D+01 -0.243832D+00  0.148584D+02
      3  -0.974146D+01  0.555868D+01  0.375376D+01  0.710675D+01 -0.122160D+02
      4  -0.159275D+02  0.216213D+02 -0.313094D+01  0.274771D+02 -0.259303D+02
      5   0.682232D+01 -0.356662D+01  0.143449D+02 -0.558055D+01  0.643660D+01
      6  -0.281941D+01  0.291759D+01 -0.520318D+01  0.476483D+01 -0.701998D+01
                 6             7             8             9            10 
      1   0.292959D+01  0.457515D+00 -0.156349D+00  0.105136D+02  0.104557D+02
      2   0.581228D-01  0.120458D+01 -0.294237D+01  0.221333D+01 -0.588821D+01
      3  -0.298771D+01 -0.166210D+01  0.309872D+01 -0.127270D+02 -0.456748D+01
      4   0.675638D+01 -0.542532D+01  0.419208D+01 -0.895661D+01  0.465053D+01
      5  -0.368451D+01  0.130656D+02 -0.644183D+01 -0.161569D+02  0.467549D+01
      6   0.946185D+01 -0.532652D+01  0.588243D+01  0.705807D+01 -0.223312D+01
                11            12            13            14            15 
      1  -0.213473D+01  0.133731D+01 -0.424384D+01 -0.752435D+01  0.100054D+01
      2  -0.747935D+00 -0.194653D+01 -0.177101D+01 -0.160198D+01  0.107944D+01
      3   0.288267D+01  0.609225D+00  0.601485D+01  0.912633D+01 -0.207998D+01
      4  -0.195151D+02  0.388750D+00 -0.301721D+02 -0.426595D+00 -0.389076D+01
      5   0.384867D+00 -0.100518D+02  0.379547D+01 -0.319898D+01  0.862091D+01
      6  -0.202780D+01  0.779579D+00 -0.233338D+01  0.151157D+01 -0.598594D+01
                16            17            18            19            20 
      1  -0.101032D+02  0.150663D+01 -0.273340D+00 -0.577577D+00 -0.209486D+01
      2  -0.632571D+01  0.655784D+01  0.106979D+02 -0.217527D+00  0.124667D+01
      3   0.164290D+02 -0.806447D+01 -0.104246D+02  0.795104D+00  0.848195D+00
      4   0.502014D+01 -0.877075D+01  0.152912D+02 -0.444258D-01 -0.198109D+01
      5  -0.161416D+02  0.140419D+02  0.270405D+02  0.934820D+00  0.381673D+00
      6   0.820835D+01  0.489086D+00 -0.566895D+01  0.291326D-01 -0.142483D+01
                21            22            23            24            25 
      1   0.559771D+01  0.194191D-01 -0.251740D+01 -0.233831D-01  0.676173D+01
      2   0.101620D-01 -0.847232D+00  0.225826D+01 -0.244962D+01 -0.367293D+01
      3  -0.560788D+01  0.827813D+00  0.259137D+00  0.247300D+01 -0.308880D+01
      4  -0.652090D+00  0.121127D+01 -0.139701D+01  0.176870D+01 -0.522210D+01
      5  -0.418502D+01  0.157368D+00  0.141485D+01  0.117911D+01  0.599569D+01
      6   0.302091D+01  0.376588D+00 -0.137228D+01  0.283003D+01 -0.108739D+01
                26            27            28            29            30 
      1   0.257578D+01 -0.140337D+02  0.540891D+01 -0.821911D+00 -0.426014D+01
      2  -0.149357D+01 -0.888047D+01 -0.642034D+01  0.122662D+01  0.473577D+01
      3  -0.108221D+01  0.229141D+02  0.101143D+01 -0.404710D+00 -0.475637D+00
      4   0.680619D+01 -0.249434D+01 -0.296717D+01  0.705622D+01  0.252276D+01
      5  -0.426781D+01  0.248910D+02 -0.989429D+01  0.246607D+01  0.125160D+02
      6   0.485955D+01 -0.139593D+02  0.253076D+01 -0.364625D+00 -0.140842D+01
                31            32            33            34            35 
      1  -0.506474D+00 -0.249222D+01 -0.271198D+01 -0.344097D+01 -0.335152D+01
      2   0.182406D+01 -0.179687D+00 -0.690337D+00  0.978945D+01 -0.196422D+01
      3  -0.131759D+01  0.267190D+01  0.340232D+01 -0.634848D+01  0.531574D+01
      4   0.988226D+01 -0.563075D+01 -0.553382D+01  0.367930D+01 -0.711819D+01
      5   0.351036D+01 -0.498170D+01 -0.775246D+01  0.188979D+02 -0.803325D+01
      6  -0.198205D+01  0.413702D+01  0.885552D+01 -0.475527D+01  0.593714D+01
                36            37            38            39            40 
      1  -0.104900D+02 -0.520653D+02  0.940752D+00  0.661633D+01  0.148126D+02
      2  -0.159244D+02  0.326856D+02  0.517587D+01 -0.443319D+01 -0.317240D+01
      3   0.264145D+02  0.193797D+02 -0.611662D+01 -0.218315D+01 -0.116402D+02
      4  -0.922560D+01  0.355860D+01  0.185884D+02 -0.273476D+00  0.194545D+02
      5  -0.321153D+02  0.728821D+01 -0.143693D+01  0.916958D+01 -0.133377D+01
      6   0.990398D+01  0.310797D+01 -0.993054D+00  0.589969D+01 -0.149966D+00
                41            42            43            44            45 
      1   0.165356D+02 -0.480786D+01  0.672432D+01 -0.324427D+01  0.161749D+02
      2  -0.651649D+01  0.629106D+01 -0.153259D+01  0.592039D+01 -0.113853D+02
      3  -0.100191D+02 -0.148320D+01 -0.519172D+01 -0.267612D+01 -0.478965D+01
      4   0.246151D+01  0.754330D+01  0.203295D+01  0.877141D+01 -0.160596D+02
      5   0.772563D+01 -0.181633D+02  0.271822D+01 -0.183138D+02 -0.189848D+02
      6   0.831115D+01 -0.110469D+02  0.138307D+00 -0.132653D+02 -0.662874D+01
                46            47            48            49            50 
      1  -0.204818D+02 -0.826533D+00 -0.940033D+00  0.329760D+01 -0.554205D+01
      2   0.663315D+01  0.823667D+00 -0.557826D+00  0.571626D+00  0.124449D+02
      3   0.138487D+02  0.286529D-02  0.149786D+01 -0.386922D+01 -0.690282D+01
      4  -0.958532D+01  0.546822D+01 -0.281314D+00 -0.944751D+01  0.241639D+01
      5  -0.275928D+01 -0.176527D+00  0.219304D+01 -0.197465D+01  0.620591D+00
      6  -0.663196D+00 -0.479496D+00 -0.136312D+01  0.131619D+01  0.192805D+01
                51            52            53            54            55 
      1  -0.256244D+00  0.501766D+01  0.757201D-01 -0.931108D+01  0.367584D+01
      2   0.233843D+01 -0.180485D+01  0.590619D+00 -0.387423D+01 -0.267960D+01
      3  -0.208218D+01 -0.321281D+01 -0.666339D+00  0.131853D+02 -0.996244D+00
      4   0.102285D+01 -0.114655D+01  0.275375D+01 -0.163214D+01  0.360757D+00
      5  -0.175360D+01  0.465734D+01 -0.175390D+01  0.110452D+00  0.193723D+01
      6  -0.365251D+01  0.118445D+00  0.456729D+01 -0.120376D+01  0.203179D+01
                56            57            58            59            60 
      1   0.213925D+01  0.393792D+01  0.180628D+01 -0.667325D+01 -0.418725D+01
      2  -0.204565D+01 -0.962054D+00 -0.132436D+00  0.720631D+01  0.419137D+01
      3  -0.935931D-01 -0.297587D+01 -0.167384D+01 -0.533061D+00 -0.412521D-02
      4  -0.161339D+01  0.155909D+01  0.351981D+01  0.859332D+01  0.492765D+01
      5   0.460768D+00 -0.444226D+00  0.969280D+00  0.506862D+01  0.892492D+01
      6  -0.654192D+00 -0.168051D+01  0.731832D+00  0.547739D+01  0.105903D+02
                61            62            63            64            65 
      1   0.833843D+01 -0.415439D+01 -0.122594D+02  0.671573D+00  0.471620D+01
      2  -0.456256D+01  0.456173D+01 -0.189339D+00  0.101620D+00 -0.422419D+01
      3  -0.377587D+01 -0.407342D+00  0.124487D+02 -0.773194D+00 -0.492007D+00
      4   0.815976D+01  0.109522D+02  0.993872D+01  0.387132D-01 -0.116501D+01
      5   0.706274D+01  0.114329D+02  0.291109D+02 -0.193730D+01  0.292618D+00
      6   0.196431D+01  0.111214D+02  0.184472D+02 -0.232743D+01  0.219618D+01
                66            67            68            69            70 
      1  -0.478068D+01  0.520535D+01 -0.154024D+02  0.840695D+01 -0.642182D+01
      2   0.240031D+01 -0.220068D+01  0.220024D+02 -0.934415D+01  0.289152D+01
      3   0.238037D+01 -0.300467D+01 -0.659996D+01  0.937197D+00  0.353030D+01
      4  -0.834466D+00  0.729771D+01  0.233412D+02 -0.109035D+02 -0.671665D+01
      5  -0.116275D+01 -0.176002D+01 -0.113624D+02  0.125154D+02  0.382939D+01
      6  -0.293621D+01 -0.104733D+01 -0.132445D+02  0.127366D+02  0.100587D+01
                71            72            73            74            75 
      1   0.863089D+01 -0.113730D+02  0.848569D+02  0.114974D+01 -0.510120D+01
      2  -0.935529D+01  0.507316D+01 -0.457422D+02  0.173423D+01  0.339988D+01
      3   0.724394D+00  0.629985D+01 -0.391147D+02 -0.288397D+01  0.170133D+01
      4  -0.147377D+02  0.108592D+02  0.179569D+02  0.114182D+02 -0.104801D+01
      5   0.120884D+02 -0.124633D+02 -0.760743D+01 -0.157815D+00  0.113050D+02
      6   0.131582D+02 -0.126921D+02 -0.189306D+01 -0.354111D+00  0.271212D+01
                76            77            78            79            80 
      1  -0.132224D+02  0.491220D+01  0.107694D+01 -0.589595D+01  0.408787D+00
      2   0.904626D+01 -0.207020D+01 -0.120702D+01  0.391364D+01 -0.100037D+01
      3   0.417609D+01 -0.284201D+01  0.130084D+00  0.198231D+01  0.591583D+00
      4   0.700536D+01 -0.155403D+01 -0.132747D+01 -0.154324D+01 -0.248121D+01
      5   0.828954D+00 -0.152885D+01 -0.108219D+01  0.118000D+02  0.192526D+01
      6  -0.202606D+00 -0.516044D+00  0.155765D+01  0.171275D+01  0.251061D+01
                81            82            83            84            85 
      1   0.556483D+01  0.642568D+01 -0.157027D+02 -0.287107D+01  0.349048D+00
      2  -0.419169D+01 -0.548352D+01  0.110257D+02  0.107146D+01 -0.107133D+02
      3  -0.137314D+01 -0.942164D+00  0.467700D+01  0.179961D+01  0.103643D+02
      4   0.278475D+01 -0.757070D+01 -0.127827D+02  0.734149D+00  0.524227D+01
      5  -0.152508D+01 -0.136932D+01  0.997846D+00 -0.296195D+01  0.555600D+00
      6   0.237145D+00  0.280199D+01  0.112037D+01  0.652116D+01 -0.413803D+01
                86            87            88            89            90 
      1   0.227904D+01  0.145388D+01 -0.667796D+00  0.413198D+01 -0.148464D+02
      2  -0.691569D+01 -0.142737D+01 -0.827532D+00 -0.491881D+01  0.254073D+01
      3   0.463665D+01 -0.265177D-01  0.149533D+01  0.786834D+00  0.123057D+02
      4  -0.133751D+02 -0.135715D+01 -0.433523D+00  0.217036D+01 -0.301237D+01
      5  -0.136090D+01  0.705143D+00  0.278029D+01 -0.361158D+01  0.173258D+01
      6  -0.211129D+01  0.611011D+01  0.383709D+01  0.143046D+02 -0.121313D+01
                91            92            93            94            95 
      1   0.193239D+01  0.203108D+02  0.301409D+00 -0.246807D+02  0.939009D+01
      2  -0.275832D+01 -0.128059D+02 -0.229904D+00  0.241327D+02 -0.146030D+02
      3   0.825933D+00 -0.750491D+01 -0.715055D-01  0.547964D+00  0.521291D+01
      4   0.130682D+02 -0.444446D+01 -0.456645D+01  0.789647D+01  0.622651D+01
      5   0.283101D+01 -0.478378D+01 -0.250159D+00 -0.832575D+00  0.390670D+01
      6  -0.463727D+01  0.315316D+01 -0.488901D+01  0.306837D+01 -0.635197D+01
                96            97            98            99           100 
      1   0.125471D+01 -0.980851D+00 -0.309094D+01 -0.471473D+01 -0.100568D+02
      2  -0.441324D+01  0.401829D+01 -0.263501D+01 -0.424474D+01  0.544339D+01
      3   0.315853D+01 -0.303744D+01  0.572595D+01  0.895947D+01  0.461346D+01
      4   0.392914D+01 -0.494897D+01  0.716373D+01 -0.163254D+02  0.117214D+01
      5  -0.127844D+02  0.145570D+02 -0.161332D+02 -0.472740D+01  0.800571D+01
      6   0.660437D+01 -0.682394D+01  0.156840D+02  0.268109D+01  0.263488D+00
               101           102           103           104           105 
      1   0.163136D+01  0.593463D+01 -0.244402D+01 -0.200524D+02 -0.356805D+01
      2  -0.106364D+01 -0.336268D+01  0.195816D+01  0.186914D+02  0.575762D+01
      3  -0.567717D+00 -0.257196D+01  0.485858D+00  0.136091D+01 -0.218958D+01
      4   0.229949D+02  0.286210D+00 -0.212158D+02  0.547106D+01  0.300177D+01
      5   0.257897D+00  0.179129D+02 -0.675147D+01  0.252625D+01  0.135885D+00
      6  -0.514280D+00 -0.129404D+01  0.282401D+01  0.212448D+01 -0.621548D+01
               106           107           108           109           110 
      1   0.870017D+01 -0.409536D+01  0.147589D+02  0.230650D+01 -0.216526D+02
      2  -0.314173D+01  0.341122D+01 -0.190395D+02 -0.402317D+01  0.122281D+02
      3  -0.555844D+01  0.684146D+00  0.428061D+01  0.171667D+01  0.942444D+01
      4  -0.713707D+01 -0.111632D+01 -0.822563D+00 -0.173813D+02  0.177280D+01
      5   0.364555D+02 -0.231237D+00 -0.483635D+01 -0.110689D+00  0.447983D+01
      6  -0.916570D+00  0.508451D+01 -0.250142D+01  0.309096D+01  0.238965D+01
               111           112           113           114           115 
      1  -0.315784D+01  0.249889D+02  0.658930D+01  0.742405D+00  0.532838D+01
      2  -0.110611D+00 -0.251265D+02 -0.120209D+02 -0.414334D+00 -0.558809D+01
      3   0.326845D+01  0.137558D+00  0.543162D+01 -0.328071D+00  0.259708D+00
      4   0.430010D+01  0.484175D+01 -0.131042D+02 -0.534782D+01  0.212404D+01
      5   0.370185D+01 -0.182803D+01 -0.493112D+01  0.125970D+02  0.187128D+02
      6   0.624520D+01 -0.432795D+01 -0.303455D+01  0.606587D+01  0.789797D+01
               116           117           118           119           120 
      1   0.494278D+01 -0.205116D+00  0.803352D+01  0.125942D+02 -0.506368D+00
      2  -0.594669D+01 -0.681688D+01 -0.603417D+01 -0.841876D+01  0.143682D+01
      3   0.100391D+01  0.702199D+01 -0.199935D+01 -0.417548D+01 -0.930452D+00
      4  -0.394334D+01  0.155390D+02  0.109840D+02 -0.168611D+02 -0.276918D+01
      5   0.160797D+02  0.487248D+01 -0.199618D+00 -0.310529D+01 -0.417292D+01
      6   0.143164D+02 -0.105980D+01 -0.247520D+01  0.176291D+01 -0.492767D+01
               121           122           123           124           125 
      1  -0.174948D+01  0.641860D+01  0.373880D+01 -0.175490D+01  0.111139D+00
      2   0.862736D+01 -0.110285D+02 -0.403832D+01  0.289706D+01 -0.392829D+01
      3  -0.687788D+01  0.460989D+01  0.299519D+00 -0.114216D+01  0.381715D+01
      4   0.995535D+01  0.133475D+02  0.141627D+01  0.161441D+01  0.300940D+01
      5   0.129497D+01  0.126347D+01  0.723430D+00 -0.422888D+00  0.525929D+01
      6   0.303633D+01 -0.606248D+01  0.500945D+01 -0.380131D+01  0.138963D+02
               126           127           128           129           130 
      1  -0.163354D+02 -0.245904D+01 -0.625138D+01 -0.394924D-01 -0.749431D+01
      2   0.208935D+01  0.535387D+01  0.925131D+01  0.212562D+00  0.108310D+02
      3   0.142461D+02 -0.289484D+01 -0.299994D+01 -0.173069D+00 -0.333671D+01
      4   0.539919D+01  0.828073D+01  0.730934D+01  0.338033D+00  0.760127D+01
      5   0.418250D+01  0.350317D+00  0.500662D+00  0.720344D+00  0.521874D+00
      6   0.390146D+01 -0.310947D+00 -0.170515D+00  0.146531D+01  0.547500D+00
               131           132           133           134           135 
      1  -0.237279D+02 -0.125473D+01 -0.855691D+00 -0.171185D+01 -0.818273D+00
      2   0.327417D+02  0.112570D+01  0.843258D+00  0.211462D+01  0.122074D+01
      3  -0.901384D+01  0.129032D+00  0.124334D-01 -0.402768D+00 -0.402468D+00
      4   0.602451D+01  0.244366D+00  0.355296D+00 -0.272084D+00  0.117282D+01
      5   0.875176D+00  0.835325D+00  0.552943D+00  0.683002D+00  0.297889D-01
      6   0.134094D+01  0.542609D+01  0.464968D+00  0.141406D+01  0.562113D+00
               136           137           138           139           140 
      1   0.861539D+01 -0.628024D+01 -0.817596D+00 -0.173918D+01 -0.105143D+02
      2   0.227186D+01 -0.498847D+01 -0.124359D+00 -0.106623D+02  0.326845D+02
      3  -0.108872D+02  0.112687D+02  0.941955D+00  0.124015D+02 -0.221702D+02
      4  -0.227213D+02  0.260478D+02  0.397035D+01  0.282641D+02 -0.484383D+02
      5  -0.335414D+01  0.354302D+01  0.487616D+01  0.352023D+01 -0.546907D+01
      6   0.260481D+01 -0.302936D+01 -0.303582D+01 -0.358984D+01  0.761999D+01
               141           142           143           144           145 
      1  -0.164600D+01 -0.834693D+00 -0.692473D+00 -0.765552D+00  0.997239D+02
      2   0.293682D+01 -0.118951D+01  0.362420D+01  0.168662D+01 -0.575098D+02
      3  -0.129082D+01  0.202421D+01 -0.293173D+01 -0.921070D+00 -0.422141D+02
      4  -0.633924D+01  0.519342D+01 -0.772438D+01 -0.253038D+01 -0.591012D+01
      5  -0.565446D+01  0.189661D+01 -0.178375D+01 -0.150111D+01 -0.100570D+02
      6   0.776492D+01 -0.159543D+01  0.301375D+01  0.187987D+01 -0.114342D+01
               146           147           148           149           150 
      1  -0.272780D+01 -0.698315D+01 -0.262299D+01  0.926990D+01  0.919738D+00
      2   0.125913D+01  0.491424D+01  0.115193D+01 -0.457949D+01 -0.822232D+00
      3   0.146867D+01  0.206891D+01  0.147106D+01 -0.469042D+01 -0.975062D-01
      4   0.929631D+01  0.292038D+00  0.149709D+02 -0.148948D+01 -0.117979D+01
      5   0.125432D+00  0.115368D+02  0.173655D+01 -0.109091D+01 -0.644790D+00
      6  -0.560554D+00 -0.206331D+00 -0.855862D+00 -0.108047D+00  0.169843D+01
               151           152           153           154           155 
      1  -0.931821D+01  0.106145D+01  0.309705D+01  0.157862D+02  0.104113D+02
      2   0.555761D+01 -0.744255D+00 -0.191737D+01 -0.894308D+00  0.333618D+01
      3   0.376060D+01 -0.317197D+00 -0.117968D+01 -0.148919D+02 -0.137474D+02
      4   0.213352D+01 -0.100230D+01 -0.430742D+00  0.285146D+02  0.294807D+02
      5   0.271596D+01 -0.298751D+00 -0.186177D+01  0.188023D+01  0.135787D+01
      6  -0.548055D-01  0.746734D+00  0.300762D+00  0.330962D+00  0.146964D+00
               156           157           158           159           160 
      1   0.646136D+00  0.620092D+01 -0.188793D+01  0.302953D-01 -0.648734D+00
      2  -0.226511D+00  0.849551D+01  0.237458D+02  0.419978D+00  0.955319D+00
      3  -0.419625D+00 -0.146964D+02 -0.218578D+02 -0.450273D+00 -0.306585D+00
      4   0.923419D+00  0.322833D+02  0.473285D+02  0.271005D+01  0.116582D+01
      5   0.518701D+01  0.276981D+01  0.359800D+01  0.546635D+01  0.159036D+01
      6   0.299258D+01  0.150001D+01  0.221650D+01  0.634365D+01  0.120532D+01
               161           162           163           164           165 
      1  -0.990675D+00 -0.381185D+00 -0.501162D+01  0.834287D+01  0.224065D+01
      2   0.186936D+01  0.119745D+01  0.599499D+01 -0.102628D+02 -0.149267D+01
      3  -0.878681D+00 -0.816264D+00 -0.983362D+00  0.191993D+01 -0.747983D+00
      4   0.250521D+01  0.221086D+01 -0.507436D+01  0.624344D+01  0.100711D+01
      5   0.128879D+01  0.395989D+00 -0.232748D+00  0.744488D+00  0.114952D+01
      6   0.206520D+01  0.739347D+00  0.171119D+01 -0.311402D+01 -0.269225D+01
               166           167           168           169           170 
      1   0.795086D+01 -0.290414D+02 -0.494241D+01  0.145901D+01 -0.380139D+01
      2  -0.989851D+01  0.381287D+02  0.429619D+01 -0.156088D+01  0.443484D+01
      3   0.194765D+01 -0.908728D+01  0.646222D+00  0.101868D+00 -0.633451D+00
      4   0.565457D+01 -0.246191D+01 -0.237444D+00  0.109478D+01 -0.115806D+01
      5   0.400587D+00  0.487988D+00 -0.183732D+00  0.998589D+00 -0.527382D+00
      6  -0.233516D+01  0.792009D+01  0.723025D+01 -0.789322D+00  0.314885D+01
               171 
      1  -0.189173D+01
      2   0.215511D+01
      3  -0.263381D+00
      4  -0.170610D+01
      5  -0.990818D+00
      6   0.198227D+01
 Leave Link  716 at Mon Aug 16 21:49:51 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131722D+03  0.140281D+01 -0.279652D+01
      2   0.140281D+01  0.108935D+03  0.276608D+01
      3  -0.279652D+01  0.276608D+01  0.713843D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.149204D+01 -0.374307D+01 -0.609255D+01
      2   0.128303D+02 -0.701315D+01  0.373665D+01
      3   0.110286D+02  0.391173D+02  0.669422D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.901014D+02 -0.855323D+01  0.104578D+02
      2   0.414951D+02  0.236230D+02 -0.503093D+01
      3   0.486063D+02 -0.150698D+02 -0.542689D+01
      4   0.240245D+02 -0.688668D+02 -0.170890D+02
      5   0.722242D+01 -0.171320D+02  0.987595D+01
      6  -0.574616D+01 -0.245087D+01  0.135305D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.411961D+01 -0.233349D+01  0.102159D+01 -0.510697D+01  0.339409D+01
      2  -0.233349D+01  0.217103D+01 -0.814510D+00  0.339409D+01 -0.442196D+01
      3   0.102159D+01 -0.814510D+00  0.139892D+01 -0.585602D+00  0.124346D+01
                 6             7             8             9            10 
      1  -0.585602D+00 -0.535185D+00 -0.605138D+00  0.116225D+01 -0.470559D+01
      2   0.124346D+01 -0.605138D+00  0.147140D+00 -0.968233D+00  0.922797D+00
      3  -0.251909D+00  0.116225D+01 -0.968233D+00 -0.514100D+01  0.110410D+01
                11            12            13            14            15 
      1   0.922797D+00  0.110410D+01  0.296289D+01 -0.426856D+01  0.219202D+00
      2  -0.218178D+01  0.324460D+00 -0.426856D+01  0.132585D+00 -0.624133D+00
      3   0.324460D+00 -0.791250D+00  0.219202D+00 -0.624133D+00  0.189549D+01
                16            17            18            19            20 
      1   0.265398D+01  0.196290D+00 -0.284459D+01 -0.962100D+00  0.180584D+00
      2   0.196290D+00 -0.941436D+00  0.282370D+01  0.180584D+00 -0.268577D+00
      3  -0.284459D+01  0.282370D+01  0.693245D+01  0.118868D+00  0.322311D+00
                21            22            23            24            25 
      1   0.118868D+00  0.584896D+00  0.148212D+00  0.913543D-01  0.247731D+01
      2   0.322311D+00  0.148212D+00 -0.557909D+00  0.547779D+00 -0.547893D+00
      3  -0.148679D+01  0.913543D-01  0.547779D+00  0.264259D+00  0.725494D+00
                26            27            28            29            30 
      1  -0.547893D+00  0.725494D+00  0.205766D+01 -0.423626D+00 -0.176282D+01
      2   0.191128D+01 -0.116236D+01 -0.423626D+00  0.697436D+00  0.297274D+00
      3  -0.116236D+01  0.698687D+01 -0.176282D+01  0.297274D+00  0.139817D+01
                31            32            33            34            35 
      1  -0.185886D+01  0.165257D+01  0.515802D+00 -0.484274D+01  0.656476D+00
      2   0.165257D+01 -0.119716D+01 -0.119411D+01  0.656476D+00 -0.161363D+01
      3   0.515802D+00 -0.119411D+01 -0.179017D+01  0.292983D+01 -0.187791D+01
                36            37            38            39            40 
      1   0.292983D+01 -0.715830D+01  0.207963D+01  0.836511D+00  0.409998D+01
      2  -0.187791D+01  0.207963D+01  0.264325D+01 -0.346260D+00  0.252121D+01
      3  -0.772791D+01  0.836511D+00 -0.346260D+00  0.146044D+01 -0.243940D+00
                41            42            43            44            45 
      1   0.252121D+01 -0.243940D+00  0.298415D+00  0.144858D+00  0.351586D+00
      2  -0.887914D+00  0.164844D+01  0.144858D+00  0.186092D+01 -0.389133D+01
      3   0.164844D+01 -0.397454D+01  0.351586D+00 -0.389133D+01 -0.380162D+01
                46            47            48            49            50 
      1   0.183884D+02 -0.222004D+01 -0.749416D+00 -0.219751D+01 -0.160635D+01
      2  -0.222004D+01  0.262885D+01 -0.855581D-01 -0.160635D+01 -0.217503D+00
      3  -0.749416D+00 -0.855581D-01  0.205362D+01 -0.476973D+00  0.147951D+00
                51            52            53            54            55 
      1  -0.476973D+00 -0.626452D+00 -0.421721D+00  0.395473D+01  0.199650D+00
      2   0.147951D+00 -0.421721D+00 -0.532256D-01 -0.363361D+00  0.249750D-01
      3  -0.577222D+00  0.395473D+01 -0.363361D+00 -0.136132D+01  0.580720D+00
                56            57            58            59            60 
      1   0.249750D-01  0.580720D+00  0.220291D+00  0.217716D+00  0.577796D-01
      2  -0.574076D+00 -0.117721D+00  0.217716D+00  0.186496D+01  0.108369D+01
      3  -0.117721D+00 -0.689191D+00  0.577796D-01  0.108369D+01  0.170592D+01
                61            62            63            64            65 
      1   0.223815D+01  0.781427D+00  0.670380D+00 -0.167689D+00  0.242586D+00
      2   0.781427D+00  0.221732D+01  0.229397D+01  0.242586D+00 -0.861447D+00
      3   0.670380D+00  0.229397D+01  0.604089D+01 -0.567321D+00  0.369903D+00
                66            67            68            69            70 
      1  -0.567321D+00  0.131478D+01  0.406364D+00 -0.663258D-01 -0.173936D+01
      2   0.369903D+00  0.406364D+00  0.520794D+01 -0.246453D+01 -0.566596D+00
      3  -0.601986D+00 -0.663258D-01 -0.246453D+01  0.262336D+01  0.160649D+00
                71            72            73            74            75 
      1  -0.566596D+00  0.160649D+00  0.121103D+02  0.499517D+00 -0.758795D+00
      2  -0.323370D+01  0.259089D+01  0.499517D+00  0.115877D+01 -0.249699D-02
      3   0.259089D+01 -0.289414D+01 -0.758795D+00 -0.249699D-02  0.119092D+01
                76            77            78            79            80 
      1  -0.197443D+01  0.770203D+00  0.684865D-01 -0.960092D+00 -0.762173D-01
      2   0.770203D+00 -0.289078D+00 -0.241771D+00 -0.762173D-01 -0.456836D+00
      3   0.684865D-01 -0.241771D+00 -0.173153D-01  0.124705D+01  0.420036D+00
                81            82            83            84            85 
      1   0.124705D+01 -0.536377D+01 -0.875863D+00 -0.236351D-01  0.839291D+01
      2   0.420036D+00 -0.875863D+00  0.340214D+01  0.718795D+00  0.133133D+00
      3  -0.711021D-01 -0.236351D-01  0.718795D+00  0.168192D+01 -0.800425D-01
                86            87            88            89            90 
      1   0.133133D+00 -0.800425D-01  0.171014D+01  0.576879D-01  0.172662D+01
      2   0.172280D+01 -0.556789D+00  0.576879D-01 -0.970126D+00  0.349629D+01
      3  -0.556789D+00  0.194703D+01  0.172662D+01  0.349629D+01  0.385265D+00
                91            92            93            94            95 
      1   0.409583D+01  0.898027D-01 -0.274824D+00  0.559709D+01 -0.264373D-01
      2   0.898027D-01 -0.268773D+01  0.285177D+00 -0.264373D-01  0.107385D+01
      3  -0.274824D+00  0.285177D+00 -0.914924D+00  0.139053D+00 -0.640252D+00
                96            97            98            99           100 
      1   0.139053D+00  0.377535D-01  0.612197D+00 -0.225400D+01 -0.593955D+01
      2  -0.640252D+00  0.612197D+00 -0.564335D+00  0.394090D+01  0.160183D-01
      3   0.226823D+01 -0.225400D+01  0.394090D+01  0.166902D+01 -0.495459D+00
               101           102           103           104           105 
      1   0.160183D-01 -0.495459D+00  0.553786D+00  0.622709D+00  0.583770D+00
      2  -0.327157D+01 -0.344718D-01  0.622709D+00 -0.394340D+00 -0.247800D+00
      3  -0.344718D-01 -0.281564D+01  0.583770D+00 -0.247800D+00 -0.614279D-01
               106           107           108           109           110 
      1  -0.357155D+00  0.691065D+00 -0.548811D+01  0.285475D+01 -0.394540D+00
      2   0.691065D+00  0.278294D+00  0.108024D+00 -0.394540D+00 -0.298430D+01
      3  -0.548811D+01  0.108024D+00  0.106713D+01 -0.528885D+00 -0.659038D+00
               111           112           113           114           115 
      1  -0.528885D+00 -0.588742D+01  0.554204D+00  0.618716D+00 -0.141313D+01
      2  -0.659038D+00  0.554204D+00 -0.361499D+00  0.666729D+00  0.371906D-01
      3  -0.151718D+01  0.618716D+00  0.666729D+00 -0.224552D+01 -0.290319D+01
               116           117           118           119           120 
      1   0.371906D-01 -0.290319D+01 -0.457409D+01  0.195399D+01  0.241735D+00
      2   0.105812D+01 -0.365829D+01  0.195399D+01  0.314065D+01 -0.153458D+00
      3  -0.365829D+01 -0.465420D+00  0.241735D+00 -0.153458D+00  0.128639D+01
               121           122           123           124           125 
      1  -0.705539D+01  0.673192D+00 -0.216484D+00 -0.667318D-01 -0.455520D+00
      2   0.673192D+00 -0.156854D+01  0.560436D+00 -0.455520D+00  0.876748D-01
      3  -0.216484D+00  0.560436D+00 -0.169169D+01  0.887110D+00 -0.360557D+01
               126           127           128           129           130 
      1   0.887110D+00  0.314571D+01  0.217639D+01  0.102028D-01  0.241788D+01
      2  -0.360557D+01  0.217639D+01  0.232685D+01  0.326810D-01  0.268915D+01
      3  -0.158931D+01  0.102028D-01  0.326810D-01  0.156168D+00  0.135051D+00
               131           132           133           134           135 
      1   0.268915D+01  0.135051D+00 -0.207451D+00  0.114213D+00 -0.859306D-01
      2   0.664790D+01  0.332226D+00  0.114213D+00  0.469431D+00  0.825201D-01
      3   0.332226D+00  0.737707D+00 -0.859306D-01  0.825201D-01  0.371988D-01
               136           137           138           139           140 
      1  -0.291054D+01  0.295599D+01  0.520995D+00  0.281321D+01 -0.404910D+01
      2   0.295599D+01 -0.317233D+01 -0.539415D+00 -0.404910D+01  0.869005D+01
      3   0.520995D+00 -0.539415D+00 -0.552534D+00 -0.582916D+00  0.118447D+01
               141           142           143           144           145 
      1  -0.582916D+00  0.611905D+00 -0.747766D+00 -0.183695D+00 -0.131839D+02
      2   0.118447D+01 -0.747766D+00  0.133096D+01  0.207014D+00  0.410803D+00
      3   0.109520D+01 -0.183695D+00  0.207014D+00  0.182544D+00  0.111496D+01
               146           147           148           149           150 
      1   0.410803D+00  0.111496D+01  0.451020D+00 -0.159945D+01 -0.216109D+00
      2  -0.872537D+00 -0.157701D-01 -0.159945D+01  0.134861D+00  0.138817D+00
      3  -0.157701D-01 -0.112758D+01 -0.216109D+00  0.138817D+00  0.805841D-01
               151           152           153           154           155 
      1   0.128635D+01 -0.213660D+00 -0.727625D-01 -0.402908D+01 -0.354306D+01
      2  -0.213660D+00  0.884241D-01  0.263861D-01 -0.354306D+01 -0.363948D+01
      3  -0.727625D-01  0.263861D-01  0.123981D+00 -0.113724D+00 -0.729801D-01
               156           157           158           159           160 
      1  -0.113724D+00 -0.349224D+01 -0.451263D+01 -0.334745D+00 -0.144198D+00
      2  -0.729801D-01 -0.451263D+01 -0.781882D+01 -0.446342D+00 -0.166705D+00
      3  -0.569234D+00 -0.334745D+00 -0.446342D+00 -0.903426D+00 -0.421744D-01
               161           162           163           164           165 
      1  -0.166705D+00 -0.421744D-01  0.202279D+01 -0.176246D+01 -0.274801D+00
      2  -0.541867D+00 -0.145765D+00 -0.176246D+01  0.234486D+01  0.491078D+00
      3  -0.145765D+00 -0.943150D-01 -0.274801D+00  0.491078D+00  0.439768D+00
               166           167           168           169           170 
      1  -0.183591D+01  0.227977D+01  0.373923D+00 -0.421504D+00  0.509809D+00
      2   0.227977D+01 -0.776024D+01 -0.113826D+01  0.509809D+00 -0.107441D+01
      3   0.373923D+00 -0.113826D+01 -0.110456D+01  0.587627D-01 -0.316907D+00
               171 
      1   0.587627D-01
      2  -0.316907D+00
      3  -0.279213D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.174666D+01  0.137683D+01  0.322333D+01 -0.249219D+01  0.725334D+00
      2   0.106787D+01 -0.283633D+01  0.991600D+01  0.400636D+00  0.291892D+01
      3   0.164860D+01 -0.108955D+02  0.161896D+01 -0.434668D+00  0.957603D+01
                 6             7             8             9            10 
      1  -0.660775D+01 -0.531532D+00  0.142914D+01 -0.773539D+01 -0.410785D+00
      2  -0.151207D+01  0.341452D+01 -0.901463D+00 -0.114583D+02  0.213470D+01
      3  -0.205377D+01  0.171889D+01 -0.154742D+01  0.796329D+00 -0.223386D+01
                11            12            13            14            15 
      1   0.149480D+00 -0.195614D-02  0.295171D+01  0.202532D+01 -0.226284D+00
      2   0.280459D+00 -0.164245D+01 -0.889387D+00 -0.343701D+01  0.337162D+01
      3   0.224764D+01  0.258446D+00  0.141282D+02  0.408071D+00  0.173372D+01
                16            17            18            19            20 
      1   0.454389D+00  0.370943D+01 -0.182404D+01  0.937362D-01 -0.529444D+00
      2  -0.109116D+02  0.460493D+01  0.105299D+02  0.283775D+01  0.284240D+00
      3   0.798107D+00  0.393937D+01 -0.704630D+01  0.132992D+01  0.106368D+01
                21            22            23            24            25 
      1  -0.234577D+01 -0.166872D+00  0.134304D+01  0.265898D-01  0.740231D+00
      2  -0.358728D+01 -0.132761D+01  0.829682D+00  0.724577D+00 -0.294445D+01
      3  -0.787248D+00  0.969470D+00  0.640151D+00 -0.577129D+00 -0.601869D+00
                26            27            28            29            30 
      1   0.109243D+01  0.107055D+02 -0.171653D+00 -0.146356D+01  0.120514D+00
      2  -0.280774D+01  0.159564D+02 -0.218681D+01  0.602196D+00  0.311217D+01
      3  -0.309034D+01  0.341781D+01  0.572777D+00 -0.358017D+01 -0.402548D+00
                31            32            33            34            35 
      1  -0.187047D+01  0.103090D+01 -0.826608D+00  0.827804D-01  0.244886D+01
      2   0.256484D+00 -0.605940D+00 -0.325463D+01  0.655829D+00 -0.295170D+01
      3  -0.203507D+01  0.211020D+01  0.227528D+01 -0.292123D+00  0.285119D+01
                36            37            38            39            40 
      1  -0.213346D+00 -0.197016D+01 -0.367398D+00 -0.265454D+01 -0.802504D+00
      2  -0.126885D+02  0.307863D+01  0.479745D-02  0.646452D+01  0.608632D+00
      3   0.392945D+01 -0.173122D+02 -0.889019D+01  0.256482D+01 -0.137162D+01
                41            42            43            44            45 
      1  -0.441733D+01  0.348090D+01  0.106393D+01  0.749260D+01  0.409922D+01
      2   0.524360D+01 -0.107166D+02 -0.138317D+01 -0.110443D+02 -0.966525D+01
      3   0.737449D+01 -0.577231D+01  0.206581D+01 -0.531719D+01  0.141043D+02
                46            47            48            49            50 
      1   0.562472D+00  0.137492D+01  0.133098D+01  0.313307D+01 -0.190288D+01
      2  -0.173718D+01 -0.572701D+00 -0.743197D+00 -0.602168D+00 -0.444341D+00
      3   0.745504D+01  0.628430D+01 -0.157896D-01  0.167071D+02  0.740394D+00
                51            52            53            54            55 
      1   0.171499D+01  0.539737D+00  0.109100D+02  0.126164D+01 -0.416003D+00
      2  -0.600227D+00 -0.142409D+02 -0.751658D+00  0.110568D+00  0.262330D+01
      3  -0.467736D+00 -0.219236D+01 -0.285216D+01  0.466198D+00 -0.963076D+00
                56            57            58            59            60 
      1  -0.201982D+00  0.893193D+00 -0.195321D+00 -0.128153D+01 -0.424908D+01
      2  -0.174450D+00 -0.119835D+01 -0.535054D+00  0.280396D+01  0.500339D+01
      3   0.155455D+01  0.128881D+01  0.226453D+01 -0.496840D+01 -0.302912D+01
                61            62            63            64            65 
      1  -0.783492D+00 -0.622288D+00 -0.882978D+01  0.296348D+00 -0.590238D-02
      2  -0.175504D+01  0.596664D+01  0.159685D+02 -0.221767D+01  0.622405D+00
      3   0.174109D+01 -0.584382D+01 -0.702478D+01 -0.294806D+01  0.258898D+01
                66            67            68            69            70 
      1   0.138077D+01  0.193649D+00  0.154914D+01 -0.508302D+01  0.353249D+00
      2  -0.138750D+01  0.809716D+00 -0.600116D+01  0.641747D+01 -0.206327D+01
      3  -0.199002D+01  0.420593D+01 -0.145504D+02  0.730094D+01 -0.216875D+01
                71            72            73            74            75 
      1  -0.124217D+01  0.386916D+01  0.220245D+00 -0.336111D+00 -0.139129D+01
      2   0.580392D+01 -0.677799D+01 -0.515803D+00  0.297615D+00  0.595451D+01
      3   0.883590D+01 -0.762969D+01  0.135017D+02 -0.613949D+01 -0.108262D+01
                76            77            78            79            80 
      1  -0.185014D+00  0.346828D+00 -0.486681D+00 -0.993939D+00  0.557500D+00
      2   0.550546D-01 -0.494899D+00 -0.353676D+00  0.208535D+01  0.110247D+01
      3  -0.261947D+01  0.213373D+01  0.905054D+00 -0.115537D+01  0.142668D+01
                81            82            83            84            85 
      1  -0.169374D+00 -0.152636D+01  0.333498D+00 -0.312697D+01  0.946825D+00
      2   0.167049D+00 -0.268693D+01 -0.405186D-01 -0.165185D+01  0.269341D+01
      3  -0.490524D+00 -0.661334D+01 -0.586682D+00  0.132219D+01  0.517615D+01
                86            87            88            89            90 
      1   0.372027D+00 -0.226296D+01 -0.596338D+01  0.241439D+01  0.680673D+00
      2  -0.428994D+00 -0.529242D+00 -0.134894D+02  0.316580D-01  0.622237D+00
      3   0.481886D+01 -0.594130D+00  0.187969D+01  0.127787D+00  0.493465D+01
                91            92            93            94            95 
      1   0.194810D+01 -0.759692D+00  0.197995D+01  0.107208D+00  0.139871D+00
      2   0.465754D+00  0.376056D+00  0.445824D+00  0.818323D+00  0.206572D+01
      3   0.384841D+01 -0.108671D+02 -0.118589D+01  0.614243D+01  0.175547D+01
                96            97            98            99           100 
      1  -0.303705D+01  0.562757D+01  0.163690D+01 -0.905053D+00 -0.803702D-01
      2  -0.604230D+01 -0.725254D+01 -0.103046D+02 -0.206167D+01 -0.570532D-01
      3  -0.141130D+01 -0.444386D-01 -0.921603D+00  0.536220D+01 -0.640026D+00
               101           102           103           104           105 
      1   0.746015D+00  0.636928D+00  0.208377D+00 -0.193392D+01  0.275308D+01
      2  -0.122552D+00  0.794413D+01 -0.226563D+01  0.161995D+00  0.135862D+00
      3  -0.724544D+01  0.558375D-01  0.109936D+02 -0.333355D+01 -0.164789D+01
               106           107           108           109           110 
      1   0.112405D+01  0.115329D+02  0.142465D+01 -0.126022D+01 -0.277117D+00
      2   0.853721D+01 -0.527553D+00 -0.226351D+01  0.108425D+01  0.188449D+01
      3   0.183200D+01 -0.655986D+00 -0.658843D+00  0.828326D+00 -0.133358D+02
               111           112           113           114           115 
      1  -0.285774D+01  0.125853D+01  0.247948D+00 -0.228456D+01 -0.647867D+01
      2   0.179277D+01 -0.678305D+00 -0.183771D+01  0.584061D+01 -0.488315D+01
      3  -0.157040D+01  0.350168D+01  0.211244D+01  0.113972D+01  0.457585D+00
               116           117           118           119           120 
      1   0.291556D+01  0.104246D+01  0.533740D+00 -0.344685D+00  0.237441D+01
      2   0.103196D+02  0.224496D+01 -0.306260D+01  0.109202D+01 -0.145402D+01
      3   0.303369D+01 -0.448068D+01 -0.919228D+00 -0.125081D+01 -0.139794D+01
               121           122           123           124           125 
      1  -0.934934D+00 -0.416532D+00 -0.272422D+01  0.502131D+01  0.201830D+01
      2   0.350758D+00  0.520297D+00  0.162718D+01 -0.135853D+02  0.119797D+01
      3   0.121856D+01 -0.846812D+01  0.888133D-01 -0.263800D+01  0.527882D+00
               126           127           128           129           130 
      1  -0.113044D+01  0.204112D+00  0.255541D+00 -0.143727D+01 -0.230547D+00
      2   0.168384D+01 -0.605401D+00 -0.103221D+00  0.150316D+00 -0.105671D+00
      3  -0.562984D+01  0.974509D+01  0.437895D+01 -0.844260D-01  0.843131D+01
               131           132           133           134           135 
      1  -0.293164D+00 -0.346102D+01  0.507902D+00  0.186438D+01 -0.807376D-01
      2  -0.425032D+00  0.863208D+00 -0.188609D+01 -0.459687D+00 -0.386106D-02
      3   0.675100D+01  0.411895D+00 -0.362882D+00  0.185210D+00 -0.984728D-02
               136           137           138           139           140 
      1  -0.225856D+00  0.123303D+00  0.203505D+01  0.127730D+00  0.182107D+00
      2  -0.503010D+00  0.757953D+00  0.210026D+01  0.509260D+00 -0.195524D+01
      3   0.921292D+00 -0.343238D+01 -0.450657D+00 -0.168462D+01  0.131992D+02
               141           142           143           144           145 
      1  -0.433364D+01 -0.554428D+00  0.191669D+01 -0.409161D+00 -0.134258D+00
      2  -0.342960D+01 -0.561809D+00  0.396006D+00 -0.452049D+00 -0.171493D+01
      3   0.168225D+01 -0.377272D+00  0.164220D+01  0.476870D-01 -0.400220D+00
               146           147           148           149           150 
      1  -0.355581D+00  0.288552D+00 -0.163798D+00 -0.200105D-01 -0.354876D+00
      2  -0.628616D-01  0.677927D+01  0.777598D+00 -0.278754D+00 -0.396214D+00
      3  -0.553442D+01  0.147424D+00 -0.376436D+01  0.315823D+00  0.322720D+00
               151           152           153           154           155 
      1  -0.398700D-01  0.580891D+00  0.610824D-02  0.212136D+00  0.466326D+00
      2  -0.287835D+01 -0.289186D-01 -0.528169D+00 -0.431282D+00 -0.380072D+00
      3  -0.825266D+00  0.531633D+00  0.166297D+00 -0.124093D+01 -0.475955D+01
               156           157           158           159           160 
      1  -0.223603D+01 -0.130030D+00  0.177508D+00 -0.384501D+01  0.790923D+00
      2   0.251370D+01  0.196841D+00  0.331132D+00  0.337789D+01 -0.866269D+00
      3   0.133907D-01 -0.288658D+01 -0.123352D+02 -0.441802D+00 -0.371424D+00
               161           162           163           164           165 
      1   0.160994D+01 -0.162806D+00  0.378113D+00 -0.184443D+00  0.178787D+01
      2  -0.569824D+00  0.220530D+00  0.102802D+01 -0.526627D+00  0.183169D+00
      3  -0.126071D+01 -0.184412D+00 -0.728222D+01  0.393123D+01  0.314774D+00
               166           167           168           169           170 
      1  -0.357032D+00  0.742448D+00 -0.388480D+01 -0.258771D+00  0.220280D+01
      2  -0.107290D+01  0.103377D+01 -0.527230D+00 -0.185284D+01  0.222470D+00
      3   0.691864D+01 -0.757841D+01 -0.126350D+01  0.536595D+00 -0.161232D+01
               171 
      1  -0.246358D+00
      2  -0.206516D+00
      3  -0.700298D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.183897D+02 -0.187332D+01 -0.883238D+00 -0.686292D+01 -0.264244D+01
      2  -0.864824D+01 -0.368536D+01 -0.287052D+01 -0.243832D+00  0.148584D+02
      3  -0.974146D+01  0.555868D+01  0.375376D+01  0.710675D+01 -0.122160D+02
      4  -0.159275D+02  0.216213D+02 -0.313094D+01  0.274771D+02 -0.259303D+02
      5   0.682232D+01 -0.356662D+01  0.143449D+02 -0.558055D+01  0.643660D+01
      6  -0.281941D+01  0.291759D+01 -0.520318D+01  0.476483D+01 -0.701998D+01
                 6             7             8             9            10 
      1   0.292959D+01  0.457515D+00 -0.156349D+00  0.105136D+02  0.104557D+02
      2   0.581228D-01  0.120458D+01 -0.294237D+01  0.221333D+01 -0.588821D+01
      3  -0.298771D+01 -0.166210D+01  0.309872D+01 -0.127270D+02 -0.456748D+01
      4   0.675638D+01 -0.542532D+01  0.419208D+01 -0.895661D+01  0.465053D+01
      5  -0.368451D+01  0.130656D+02 -0.644183D+01 -0.161569D+02  0.467549D+01
      6   0.946185D+01 -0.532652D+01  0.588243D+01  0.705807D+01 -0.223312D+01
                11            12            13            14            15 
      1  -0.213473D+01  0.133731D+01 -0.424384D+01 -0.752435D+01  0.100054D+01
      2  -0.747935D+00 -0.194653D+01 -0.177101D+01 -0.160198D+01  0.107944D+01
      3   0.288267D+01  0.609225D+00  0.601485D+01  0.912633D+01 -0.207998D+01
      4  -0.195151D+02  0.388750D+00 -0.301721D+02 -0.426595D+00 -0.389076D+01
      5   0.384867D+00 -0.100518D+02  0.379547D+01 -0.319898D+01  0.862091D+01
      6  -0.202780D+01  0.779579D+00 -0.233338D+01  0.151157D+01 -0.598594D+01
                16            17            18            19            20 
      1  -0.101032D+02  0.150663D+01 -0.273340D+00 -0.577577D+00 -0.209486D+01
      2  -0.632571D+01  0.655784D+01  0.106979D+02 -0.217527D+00  0.124667D+01
      3   0.164290D+02 -0.806447D+01 -0.104246D+02  0.795104D+00  0.848195D+00
      4   0.502014D+01 -0.877075D+01  0.152912D+02 -0.444258D-01 -0.198109D+01
      5  -0.161416D+02  0.140419D+02  0.270405D+02  0.934820D+00  0.381673D+00
      6   0.820835D+01  0.489086D+00 -0.566895D+01  0.291326D-01 -0.142483D+01
                21            22            23            24            25 
      1   0.559771D+01  0.194191D-01 -0.251740D+01 -0.233831D-01  0.676173D+01
      2   0.101620D-01 -0.847232D+00  0.225826D+01 -0.244962D+01 -0.367293D+01
      3  -0.560788D+01  0.827813D+00  0.259137D+00  0.247300D+01 -0.308880D+01
      4  -0.652090D+00  0.121127D+01 -0.139701D+01  0.176870D+01 -0.522210D+01
      5  -0.418502D+01  0.157368D+00  0.141485D+01  0.117911D+01  0.599569D+01
      6   0.302091D+01  0.376588D+00 -0.137228D+01  0.283003D+01 -0.108739D+01
                26            27            28            29            30 
      1   0.257578D+01 -0.140337D+02  0.540891D+01 -0.821911D+00 -0.426014D+01
      2  -0.149357D+01 -0.888047D+01 -0.642034D+01  0.122662D+01  0.473577D+01
      3  -0.108221D+01  0.229141D+02  0.101143D+01 -0.404710D+00 -0.475637D+00
      4   0.680619D+01 -0.249434D+01 -0.296717D+01  0.705622D+01  0.252276D+01
      5  -0.426781D+01  0.248910D+02 -0.989429D+01  0.246607D+01  0.125160D+02
      6   0.485955D+01 -0.139593D+02  0.253076D+01 -0.364625D+00 -0.140842D+01
                31            32            33            34            35 
      1  -0.506474D+00 -0.249222D+01 -0.271198D+01 -0.344097D+01 -0.335152D+01
      2   0.182406D+01 -0.179687D+00 -0.690337D+00  0.978945D+01 -0.196422D+01
      3  -0.131759D+01  0.267190D+01  0.340232D+01 -0.634848D+01  0.531574D+01
      4   0.988226D+01 -0.563075D+01 -0.553382D+01  0.367930D+01 -0.711819D+01
      5   0.351036D+01 -0.498170D+01 -0.775246D+01  0.188979D+02 -0.803325D+01
      6  -0.198205D+01  0.413702D+01  0.885552D+01 -0.475527D+01  0.593714D+01
                36            37            38            39            40 
      1  -0.104900D+02 -0.520653D+02  0.940752D+00  0.661633D+01  0.148126D+02
      2  -0.159244D+02  0.326856D+02  0.517587D+01 -0.443319D+01 -0.317240D+01
      3   0.264145D+02  0.193797D+02 -0.611662D+01 -0.218315D+01 -0.116402D+02
      4  -0.922560D+01  0.355860D+01  0.185884D+02 -0.273476D+00  0.194545D+02
      5  -0.321153D+02  0.728821D+01 -0.143693D+01  0.916958D+01 -0.133377D+01
      6   0.990398D+01  0.310797D+01 -0.993054D+00  0.589969D+01 -0.149966D+00
                41            42            43            44            45 
      1   0.165356D+02 -0.480786D+01  0.672432D+01 -0.324427D+01  0.161749D+02
      2  -0.651649D+01  0.629106D+01 -0.153259D+01  0.592039D+01 -0.113853D+02
      3  -0.100191D+02 -0.148320D+01 -0.519172D+01 -0.267612D+01 -0.478965D+01
      4   0.246151D+01  0.754330D+01  0.203295D+01  0.877141D+01 -0.160596D+02
      5   0.772563D+01 -0.181633D+02  0.271822D+01 -0.183138D+02 -0.189848D+02
      6   0.831115D+01 -0.110469D+02  0.138307D+00 -0.132653D+02 -0.662874D+01
                46            47            48            49            50 
      1  -0.204818D+02 -0.826533D+00 -0.940033D+00  0.329760D+01 -0.554205D+01
      2   0.663315D+01  0.823667D+00 -0.557826D+00  0.571626D+00  0.124449D+02
      3   0.138487D+02  0.286529D-02  0.149786D+01 -0.386922D+01 -0.690282D+01
      4  -0.958532D+01  0.546822D+01 -0.281314D+00 -0.944751D+01  0.241639D+01
      5  -0.275928D+01 -0.176527D+00  0.219304D+01 -0.197465D+01  0.620591D+00
      6  -0.663196D+00 -0.479496D+00 -0.136312D+01  0.131619D+01  0.192805D+01
                51            52            53            54            55 
      1  -0.256244D+00  0.501766D+01  0.757201D-01 -0.931108D+01  0.367584D+01
      2   0.233843D+01 -0.180485D+01  0.590619D+00 -0.387423D+01 -0.267960D+01
      3  -0.208218D+01 -0.321281D+01 -0.666339D+00  0.131853D+02 -0.996244D+00
      4   0.102285D+01 -0.114655D+01  0.275375D+01 -0.163214D+01  0.360757D+00
      5  -0.175360D+01  0.465734D+01 -0.175390D+01  0.110452D+00  0.193723D+01
      6  -0.365251D+01  0.118445D+00  0.456729D+01 -0.120376D+01  0.203179D+01
                56            57            58            59            60 
      1   0.213925D+01  0.393792D+01  0.180628D+01 -0.667325D+01 -0.418725D+01
      2  -0.204565D+01 -0.962054D+00 -0.132436D+00  0.720631D+01  0.419137D+01
      3  -0.935931D-01 -0.297587D+01 -0.167384D+01 -0.533061D+00 -0.412521D-02
      4  -0.161339D+01  0.155909D+01  0.351981D+01  0.859332D+01  0.492765D+01
      5   0.460768D+00 -0.444226D+00  0.969280D+00  0.506862D+01  0.892492D+01
      6  -0.654192D+00 -0.168051D+01  0.731832D+00  0.547739D+01  0.105903D+02
                61            62            63            64            65 
      1   0.833843D+01 -0.415439D+01 -0.122594D+02  0.671573D+00  0.471620D+01
      2  -0.456256D+01  0.456173D+01 -0.189339D+00  0.101620D+00 -0.422419D+01
      3  -0.377587D+01 -0.407342D+00  0.124487D+02 -0.773194D+00 -0.492007D+00
      4   0.815976D+01  0.109522D+02  0.993872D+01  0.387132D-01 -0.116501D+01
      5   0.706274D+01  0.114329D+02  0.291109D+02 -0.193730D+01  0.292618D+00
      6   0.196431D+01  0.111214D+02  0.184472D+02 -0.232743D+01  0.219618D+01
                66            67            68            69            70 
      1  -0.478068D+01  0.520535D+01 -0.154024D+02  0.840695D+01 -0.642182D+01
      2   0.240031D+01 -0.220068D+01  0.220024D+02 -0.934415D+01  0.289152D+01
      3   0.238037D+01 -0.300467D+01 -0.659996D+01  0.937197D+00  0.353030D+01
      4  -0.834466D+00  0.729771D+01  0.233412D+02 -0.109035D+02 -0.671665D+01
      5  -0.116275D+01 -0.176002D+01 -0.113624D+02  0.125154D+02  0.382939D+01
      6  -0.293621D+01 -0.104733D+01 -0.132445D+02  0.127366D+02  0.100587D+01
                71            72            73            74            75 
      1   0.863089D+01 -0.113730D+02  0.848569D+02  0.114974D+01 -0.510120D+01
      2  -0.935529D+01  0.507316D+01 -0.457422D+02  0.173423D+01  0.339988D+01
      3   0.724394D+00  0.629985D+01 -0.391147D+02 -0.288397D+01  0.170133D+01
      4  -0.147377D+02  0.108592D+02  0.179569D+02  0.114182D+02 -0.104801D+01
      5   0.120884D+02 -0.124633D+02 -0.760743D+01 -0.157815D+00  0.113050D+02
      6   0.131582D+02 -0.126921D+02 -0.189306D+01 -0.354111D+00  0.271212D+01
                76            77            78            79            80 
      1  -0.132224D+02  0.491220D+01  0.107694D+01 -0.589595D+01  0.408787D+00
      2   0.904626D+01 -0.207020D+01 -0.120702D+01  0.391364D+01 -0.100037D+01
      3   0.417609D+01 -0.284201D+01  0.130084D+00  0.198231D+01  0.591583D+00
      4   0.700536D+01 -0.155403D+01 -0.132747D+01 -0.154324D+01 -0.248121D+01
      5   0.828954D+00 -0.152885D+01 -0.108219D+01  0.118000D+02  0.192526D+01
      6  -0.202606D+00 -0.516044D+00  0.155765D+01  0.171275D+01  0.251061D+01
                81            82            83            84            85 
      1   0.556483D+01  0.642568D+01 -0.157027D+02 -0.287107D+01  0.349048D+00
      2  -0.419169D+01 -0.548352D+01  0.110257D+02  0.107146D+01 -0.107133D+02
      3  -0.137314D+01 -0.942164D+00  0.467700D+01  0.179961D+01  0.103643D+02
      4   0.278475D+01 -0.757070D+01 -0.127827D+02  0.734149D+00  0.524227D+01
      5  -0.152508D+01 -0.136932D+01  0.997846D+00 -0.296195D+01  0.555600D+00
      6   0.237145D+00  0.280199D+01  0.112037D+01  0.652116D+01 -0.413803D+01
                86            87            88            89            90 
      1   0.227904D+01  0.145388D+01 -0.667796D+00  0.413198D+01 -0.148464D+02
      2  -0.691569D+01 -0.142737D+01 -0.827532D+00 -0.491881D+01  0.254073D+01
      3   0.463665D+01 -0.265177D-01  0.149533D+01  0.786834D+00  0.123057D+02
      4  -0.133751D+02 -0.135715D+01 -0.433523D+00  0.217036D+01 -0.301237D+01
      5  -0.136090D+01  0.705143D+00  0.278029D+01 -0.361158D+01  0.173258D+01
      6  -0.211129D+01  0.611011D+01  0.383709D+01  0.143046D+02 -0.121313D+01
                91            92            93            94            95 
      1   0.193239D+01  0.203108D+02  0.301409D+00 -0.246807D+02  0.939009D+01
      2  -0.275832D+01 -0.128059D+02 -0.229904D+00  0.241327D+02 -0.146030D+02
      3   0.825933D+00 -0.750491D+01 -0.715055D-01  0.547964D+00  0.521291D+01
      4   0.130682D+02 -0.444446D+01 -0.456645D+01  0.789647D+01  0.622651D+01
      5   0.283101D+01 -0.478378D+01 -0.250159D+00 -0.832575D+00  0.390670D+01
      6  -0.463727D+01  0.315316D+01 -0.488901D+01  0.306837D+01 -0.635197D+01
                96            97            98            99           100 
      1   0.125471D+01 -0.980851D+00 -0.309094D+01 -0.471473D+01 -0.100568D+02
      2  -0.441324D+01  0.401829D+01 -0.263501D+01 -0.424474D+01  0.544339D+01
      3   0.315853D+01 -0.303744D+01  0.572595D+01  0.895947D+01  0.461346D+01
      4   0.392914D+01 -0.494897D+01  0.716373D+01 -0.163254D+02  0.117214D+01
      5  -0.127844D+02  0.145570D+02 -0.161332D+02 -0.472740D+01  0.800571D+01
      6   0.660437D+01 -0.682394D+01  0.156840D+02  0.268109D+01  0.263488D+00
               101           102           103           104           105 
      1   0.163136D+01  0.593463D+01 -0.244402D+01 -0.200524D+02 -0.356805D+01
      2  -0.106364D+01 -0.336268D+01  0.195816D+01  0.186914D+02  0.575762D+01
      3  -0.567717D+00 -0.257196D+01  0.485858D+00  0.136091D+01 -0.218958D+01
      4   0.229949D+02  0.286210D+00 -0.212158D+02  0.547106D+01  0.300177D+01
      5   0.257897D+00  0.179129D+02 -0.675147D+01  0.252625D+01  0.135885D+00
      6  -0.514280D+00 -0.129404D+01  0.282401D+01  0.212448D+01 -0.621548D+01
               106           107           108           109           110 
      1   0.870017D+01 -0.409536D+01  0.147589D+02  0.230650D+01 -0.216526D+02
      2  -0.314173D+01  0.341122D+01 -0.190395D+02 -0.402317D+01  0.122281D+02
      3  -0.555844D+01  0.684146D+00  0.428061D+01  0.171667D+01  0.942444D+01
      4  -0.713707D+01 -0.111632D+01 -0.822563D+00 -0.173813D+02  0.177280D+01
      5   0.364555D+02 -0.231237D+00 -0.483635D+01 -0.110689D+00  0.447983D+01
      6  -0.916570D+00  0.508451D+01 -0.250142D+01  0.309096D+01  0.238965D+01
               111           112           113           114           115 
      1  -0.315784D+01  0.249889D+02  0.658930D+01  0.742405D+00  0.532838D+01
      2  -0.110611D+00 -0.251265D+02 -0.120209D+02 -0.414334D+00 -0.558809D+01
      3   0.326845D+01  0.137558D+00  0.543162D+01 -0.328071D+00  0.259708D+00
      4   0.430010D+01  0.484175D+01 -0.131042D+02 -0.534782D+01  0.212404D+01
      5   0.370185D+01 -0.182803D+01 -0.493112D+01  0.125970D+02  0.187128D+02
      6   0.624520D+01 -0.432795D+01 -0.303455D+01  0.606587D+01  0.789797D+01
               116           117           118           119           120 
      1   0.494278D+01 -0.205116D+00  0.803352D+01  0.125942D+02 -0.506368D+00
      2  -0.594669D+01 -0.681688D+01 -0.603417D+01 -0.841876D+01  0.143682D+01
      3   0.100391D+01  0.702199D+01 -0.199935D+01 -0.417548D+01 -0.930452D+00
      4  -0.394334D+01  0.155390D+02  0.109840D+02 -0.168611D+02 -0.276918D+01
      5   0.160797D+02  0.487248D+01 -0.199618D+00 -0.310529D+01 -0.417292D+01
      6   0.143164D+02 -0.105980D+01 -0.247520D+01  0.176291D+01 -0.492767D+01
               121           122           123           124           125 
      1  -0.174948D+01  0.641860D+01  0.373880D+01 -0.175490D+01  0.111139D+00
      2   0.862736D+01 -0.110285D+02 -0.403832D+01  0.289706D+01 -0.392829D+01
      3  -0.687788D+01  0.460989D+01  0.299519D+00 -0.114216D+01  0.381715D+01
      4   0.995535D+01  0.133475D+02  0.141627D+01  0.161441D+01  0.300940D+01
      5   0.129497D+01  0.126347D+01  0.723430D+00 -0.422888D+00  0.525929D+01
      6   0.303633D+01 -0.606248D+01  0.500945D+01 -0.380131D+01  0.138963D+02
               126           127           128           129           130 
      1  -0.163354D+02 -0.245904D+01 -0.625138D+01 -0.394924D-01 -0.749431D+01
      2   0.208935D+01  0.535387D+01  0.925131D+01  0.212562D+00  0.108310D+02
      3   0.142461D+02 -0.289484D+01 -0.299994D+01 -0.173069D+00 -0.333671D+01
      4   0.539919D+01  0.828073D+01  0.730934D+01  0.338033D+00  0.760127D+01
      5   0.418250D+01  0.350317D+00  0.500662D+00  0.720344D+00  0.521874D+00
      6   0.390146D+01 -0.310947D+00 -0.170515D+00  0.146531D+01  0.547500D+00
               131           132           133           134           135 
      1  -0.237279D+02 -0.125473D+01 -0.855691D+00 -0.171185D+01 -0.818273D+00
      2   0.327417D+02  0.112570D+01  0.843258D+00  0.211462D+01  0.122074D+01
      3  -0.901384D+01  0.129032D+00  0.124334D-01 -0.402768D+00 -0.402468D+00
      4   0.602451D+01  0.244366D+00  0.355296D+00 -0.272084D+00  0.117282D+01
      5   0.875176D+00  0.835325D+00  0.552943D+00  0.683002D+00  0.297889D-01
      6   0.134094D+01  0.542609D+01  0.464968D+00  0.141406D+01  0.562113D+00
               136           137           138           139           140 
      1   0.861539D+01 -0.628024D+01 -0.817596D+00 -0.173918D+01 -0.105143D+02
      2   0.227186D+01 -0.498847D+01 -0.124359D+00 -0.106623D+02  0.326845D+02
      3  -0.108872D+02  0.112687D+02  0.941955D+00  0.124015D+02 -0.221702D+02
      4  -0.227213D+02  0.260478D+02  0.397035D+01  0.282641D+02 -0.484383D+02
      5  -0.335414D+01  0.354302D+01  0.487616D+01  0.352023D+01 -0.546907D+01
      6   0.260481D+01 -0.302936D+01 -0.303582D+01 -0.358984D+01  0.761999D+01
               141           142           143           144           145 
      1  -0.164600D+01 -0.834693D+00 -0.692473D+00 -0.765552D+00  0.997239D+02
      2   0.293682D+01 -0.118951D+01  0.362420D+01  0.168662D+01 -0.575098D+02
      3  -0.129082D+01  0.202421D+01 -0.293173D+01 -0.921070D+00 -0.422141D+02
      4  -0.633924D+01  0.519342D+01 -0.772438D+01 -0.253038D+01 -0.591012D+01
      5  -0.565446D+01  0.189661D+01 -0.178375D+01 -0.150111D+01 -0.100570D+02
      6   0.776492D+01 -0.159543D+01  0.301375D+01  0.187987D+01 -0.114342D+01
               146           147           148           149           150 
      1  -0.272780D+01 -0.698315D+01 -0.262299D+01  0.926990D+01  0.919738D+00
      2   0.125913D+01  0.491424D+01  0.115193D+01 -0.457949D+01 -0.822232D+00
      3   0.146867D+01  0.206891D+01  0.147106D+01 -0.469042D+01 -0.975062D-01
      4   0.929631D+01  0.292038D+00  0.149709D+02 -0.148948D+01 -0.117979D+01
      5   0.125432D+00  0.115368D+02  0.173655D+01 -0.109091D+01 -0.644790D+00
      6  -0.560554D+00 -0.206331D+00 -0.855862D+00 -0.108047D+00  0.169843D+01
               151           152           153           154           155 
      1  -0.931821D+01  0.106145D+01  0.309705D+01  0.157862D+02  0.104113D+02
      2   0.555761D+01 -0.744255D+00 -0.191737D+01 -0.894308D+00  0.333618D+01
      3   0.376060D+01 -0.317197D+00 -0.117968D+01 -0.148919D+02 -0.137474D+02
      4   0.213352D+01 -0.100230D+01 -0.430742D+00  0.285146D+02  0.294807D+02
      5   0.271596D+01 -0.298751D+00 -0.186177D+01  0.188023D+01  0.135787D+01
      6  -0.548055D-01  0.746734D+00  0.300762D+00  0.330962D+00  0.146964D+00
               156           157           158           159           160 
      1   0.646136D+00  0.620092D+01 -0.188793D+01  0.302953D-01 -0.648734D+00
      2  -0.226511D+00  0.849551D+01  0.237458D+02  0.419978D+00  0.955319D+00
      3  -0.419625D+00 -0.146964D+02 -0.218578D+02 -0.450273D+00 -0.306585D+00
      4   0.923419D+00  0.322833D+02  0.473285D+02  0.271005D+01  0.116582D+01
      5   0.518701D+01  0.276981D+01  0.359800D+01  0.546635D+01  0.159036D+01
      6   0.299258D+01  0.150001D+01  0.221650D+01  0.634365D+01  0.120532D+01
               161           162           163           164           165 
      1  -0.990675D+00 -0.381185D+00 -0.501162D+01  0.834287D+01  0.224065D+01
      2   0.186936D+01  0.119745D+01  0.599499D+01 -0.102628D+02 -0.149267D+01
      3  -0.878681D+00 -0.816264D+00 -0.983362D+00  0.191993D+01 -0.747983D+00
      4   0.250521D+01  0.221086D+01 -0.507436D+01  0.624344D+01  0.100711D+01
      5   0.128879D+01  0.395989D+00 -0.232748D+00  0.744488D+00  0.114952D+01
      6   0.206520D+01  0.739347D+00  0.171119D+01 -0.311402D+01 -0.269225D+01
               166           167           168           169           170 
      1   0.795086D+01 -0.290414D+02 -0.494241D+01  0.145901D+01 -0.380139D+01
      2  -0.989851D+01  0.381287D+02  0.429619D+01 -0.156088D+01  0.443484D+01
      3   0.194765D+01 -0.908728D+01  0.646222D+00  0.101868D+00 -0.633451D+00
      4   0.565457D+01 -0.246191D+01 -0.237444D+00  0.109478D+01 -0.115806D+01
      5   0.400587D+00  0.487988D+00 -0.183732D+00  0.998589D+00 -0.527382D+00
      6  -0.233516D+01  0.792009D+01  0.723025D+01 -0.789322D+00  0.314885D+01
               171 
      1  -0.189173D+01
      2   0.215511D+01
      3  -0.263381D+00
      4  -0.170610D+01
      5  -0.990818D+00
      6   0.198227D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x         -0.294882D+00     -0.749515D+00     -0.250011D+01
   y          0.452113D+00      0.114916D+01      0.383318D+01
   z          0.166018D+00      0.421975D+00      0.140756D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.120305D+03      0.178273D+02      0.198356D+02
   yx         0.144257D+01      0.213768D+00      0.237848D+00
   yy         0.100120D+03      0.148362D+02      0.165075D+02
   zx        -0.312062D+01     -0.462429D+00     -0.514521D+00
   zy         0.277415D+01      0.411086D+00      0.457395D+00
   zz         0.639037D+02      0.946955D+01      0.105363D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104014D+03      0.154133D+02      0.171496D+02
   aniso      0.532665D+02      0.789329D+01      0.878247D+01
   xx         0.131722D+03      0.195192D+02      0.217181D+02
   yx         0.140281D+01      0.207875D+00      0.231293D+00
   yy         0.108935D+03      0.161425D+02      0.179609D+02
   zx        -0.279652D+01     -0.414402D+00     -0.461084D+00
   zy         0.276608D+01      0.409891D+00      0.456065D+00
   zz         0.713843D+02      0.105781D+02      0.117697D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          2.91630733         -0.54809632         -3.75648775
     6          2.03584781          1.37546607         -2.06379319
     1          3.48471282         -1.96037188         -2.75312639
     1          1.12312838          2.74113870         -3.31901559
     6          4.25077228          2.67799289         -0.77245184
     6          0.03477746          0.32698751         -0.29086232
     1          5.21797949          1.39477620          0.52446011
     1          3.64220597          4.33616565          0.29163633
     1          5.59685222          3.28687707         -2.20588407
     6          0.02233634          0.79733187          2.29921841
     6         -1.86192073         -0.20086528          3.83961783
     6         -3.76341492         -1.68288336          2.80933192
     6         -3.77180702         -2.16364185          0.22373567
     6         -1.89302783         -1.16613933         -1.30662714
     1          1.48516440          1.94665457          3.14284151
     1         -1.83517165          0.18321237          5.84889601
     1         -5.22840408         -2.45955908          4.00686284
     1         -5.24927065         -3.31489933         -0.59936625
     1         -1.88903025         -1.55472256         -3.31441121

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.564733D+00      0.143541D+01      0.478801D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.564733D+00      0.143541D+01      0.478801D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947761D+02      0.140444D+02      0.156265D+02
   aniso      0.500859D+02      0.742196D+01      0.825805D+01
   xx         0.101919D+03      0.151029D+02      0.168043D+02
   yx         0.224706D+02      0.332980D+01      0.370490D+01
   yy         0.788575D+02      0.116855D+02      0.130018D+02
   zx        -0.116601D+02     -0.172784D+01     -0.192248D+01
   zy         0.214415D+01      0.317730D+00      0.353522D+00
   zz         0.103551D+03      0.153447D+02      0.170733D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104014D+03      0.154133D+02      0.171496D+02
   aniso      0.532665D+02      0.789329D+01      0.878247D+01
   xx         0.112236D+03      0.166317D+02      0.185053D+02
   yx         0.235220D+02      0.348559D+01      0.387825D+01
   yy         0.869148D+02      0.128794D+02      0.143303D+02
   zx        -0.129734D+02     -0.192245D+01     -0.213902D+01
   zy         0.218954D+01      0.324457D+00      0.361007D+00
   zz         0.112890D+03      0.167286D+02      0.186131D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-29\Freq\RLC-PBEPBE\Gen\C8H10O1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\O,2.162345,-1.239247,0.453644\C,1.655725,-0.
 158939,-0.34123\H,1.881072,-1.094176,1.365099\H,1.854813,-0.482019,-1.
 367262\C,2.446699,1.114652,-0.080136\C,0.150796,-0.02995,-0.174166\H,2
 .272946,1.48673,0.932505\H,2.181966,1.904257,-0.785239\H,3.509095,0.90
 0115,-0.189137\C,-0.489673,1.190819,0.026062\C,-1.872964,1.254695,0.16
 7928\C,-2.635845,0.097346,0.110092\C,-2.007097,-1.127866,-0.090783\C,-
 0.628986,-1.188612,-0.232307\H,0.08469,2.105244,0.074595\H,-2.351327,2
 .213069,0.325179\H,-3.711408,0.146804,0.220623\H,-2.593574,-2.036616,-
 0.139348\H,-0.138964,-2.1423,-0.378921\\Version=ES64L-G16RevA.03\State
 =1-A\HF=-386.275913\RMSD=5.979e-09\RMSF=8.480e-06\ZeroPoint=0.1610187\
 Thermal=0.1693655\Dipole=-0.294882,0.4521133,0.1660177\DipoleDeriv=-0.
 7635145,0.0872415,-0.1362603,0.0734385,-0.6936235,0.2399813,-0.2011494
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 0.0569204,0.0721572,-0.0424666,0.0838199,-0.0224204,-0.1456901,-0.0047
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 30118,-0.0151213,0.1177659\Polar=120.3046293,1.4425748,100.1198629,-3.
 1206241,2.7741465,63.9036978\Quadrupole=-0.2338376,0.5731987,-0.339361
 1,2.6894512,-0.2079546,0.1005839\PG=C01 [X(C8H10O1)]\NImag=0\\0.152994
 39,-0.10455864,0.23844678,-0.10531567,-0.01994151,0.58700919,-0.080258
 13,0.03944975,-0.02515981,0.46918356,0.03243816,-0.13961426,0.06258082
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 0.05702364,0.57147682,-0.05822747,0.03750705,0.15241332,0.00193752,0.0
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 31,0.00082592,0.03514629,0.01346824,-0.07100778,-0.08314154,0.00228327
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 THERE IS AN OLD, OLD RECIPE IN MAINE FOR STEWING COOT. PLACE THE
 BIRD IN A KETTLE OF WATER WITH A RED BUILDING BRICK FREE OF MORTAR AND
 BLEMISHES. PARBOIL THE COOT AND BRICK TOGETHER FOR THREE HOURS.
 POUR OFF THE WATER, REFILL THE KETTLE, AND AGAIN PARBOIL FOR THREE HOURS.
 ONCE AGAIN POUR OFF THE WATER, FOR THE LAST TIME ADD FRESH WATER,
 AND LET THE COOT AND BRICK SIMMER TOGETHER OVERNIGHT. IN THE MORNING,
 THROW AWAY THE COOT AND EAT THE BRICK.
 Job cpu time:       0 days  3 hours 41 minutes  9.9 seconds.
 Elapsed time:       0 days  0 hours 27 minutes 43.7 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:49:51 2021.
